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weihua20

金虫 (正式写手)

[求助] 求1个化合物微普数据查询

碳谱数据,从小到大,溶剂不限:12.9,33.9,60.5,109.4,121.8,123.5,127.9,128.9,142.5,171.1,180.0
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木虫 (正式写手)

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weihua20(jiangchunyong代发): 金币+12, 谢谢 2013-07-02 19:10:48
查询结果:共查到102个化合物(查询结果仅供参考)  
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1 .     ethyl oxindole-3-acetate
C12H13NO3     相似度:83.3%
Journal of Natural Products          1997          60          1152-1154
Total Synthesis of Donaxaridine
Hasse B. Rasmussen and John K. MacLeod
Structure      13C NMR   碳谱模拟图

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2 .     methyl 2-(2-oxo-3-indolyl)acetate
    相似度:72.7%
Heterocycles          2006          68          1459-1466
Structural Characterization of Isomeric Methyl 2-(2-Oxo-3-indolyl)acetate and Methyl 1-(2-Oxo-4-quinolyl)formate
Ernesto Rivera-Becerril, Nury Pérez-Hernández, Pedro Joseph-Nathan, and Martha S. Morales-Ríos*
Structure      13C NMR   碳谱模拟图

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3 .     3-(2-hydroxyethyl)-2-indolinone
C10H11NO2     相似度:63.6%
Journal of Natural Products          1997          60          1152-1154
Total Synthesis of Donaxaridine
Hasse B. Rasmussen and John K. MacLeod
Structure      13C NMR   碳谱模拟图

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4 .     3-(2-acetoxyethyl)-2-indolinone
C12H13NO3     相似度:63.6%
Journal of Natural Products          1997          60          1152-1154
Total Synthesis of Donaxaridine
Hasse B. Rasmussen and John K. MacLeod
Structure      13C NMR   碳谱模拟图

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5 .     diethyl 1,4-dihydro-1-phenyl-4-oxopyridine-3,5-dicarboxylate
C17H17NO5     相似度:63.6%
Heterocycles          2000          53          2033-2042
Synthesis and Transformations of Alkyl 1,5-Bis(dimethylamino)-3-oxopenta-1,4-diene-2,4-dicarboxylates. A Simple Synthesis of Dialkyl 1-Substituted 4-Oxo-1,4-dihydropyridine-3,5-dicarboxy-lates
Silvo Zupancic, Jurij Svete,* and Branko Stanovnik*
Structure      13C NMR   碳谱模拟图

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6 .     methyl 2,3-dihydro-2-oxo-1H-indole-3-butanoate
C13H15NO3     相似度:61.5%
Journal of Medicinal Chemistry          1993          36          2459-2469
Tyrosine kinase inhibitors. 1. Structure-activity relationships for inhibition of epidermal growth factor receptor tyrosine kinase activity by 2,3-dihydro-2-thioxo-1H-indole-3-alkanoic acids and 2,2'-dithiobis(1H-indole-3-alkanoic acids)
Andrew M. Thompson, Gordon W. Rewcastle, Moana Tercel, Ellen M. Dobrusin, David W. Fry, Alan J. Kraker, William A. Denny
Structure      13C NMR   碳谱模拟图

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7 .     Ethyl (2R*,3S*)-and (2R*,3R*)-3-Hydroxy-2-(methylsulfanyl)-3-(3-nitrophenyl)propanoate
C12H15NNaO5S     相似度:58.3%
Helvetica Chimica Acta          2011          Vol. 94          1533-1542
Synthesis of b-Hydroxy a-Sulfanyl Esters by Using Nanocrystalline Magnesium Oxide
Koosam Mahendar, A. V. S. Sarma, P. Raghavaiah, Mannepalli Lakshmi Kantam, and Kenneth J. Klabunde
Structure      13C NMR   碳谱模拟图

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8 .     methyl(±)-3-(2-Oxoindolin-3-yl)propanoate
C12H13NO3     相似度:58.3%
Journal of Heterocyclic Chemistry          2004          41          563-568
Diastereoselective synthesis of substituted 2,3,4,5-tetrahydro-1H-1-benzazepine-5-carboxylic esters by a tandem reduction-reductive animation reaction
Richard A. Bunce,Lara B. Johnson and Elizabeth M. Holt
Structure      13C NMR   碳谱模拟图

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9 .     ethyl 2-(1-phenyl-1H-pyrrol-2-yl)acetate
C20H12NO2     相似度:58.3%
Tetrahedron          2013          69          4415-4420
Pd(II)-catalyzed intramolecular aminopalladation/direct C–H arylation under aerobic conditions: synthesis of pyrrolo[1,2-a]indoles
Tiffany Piou, Luc Neuville, Jieping Zhu
Structure      13C NMR   碳谱模拟图

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10 .     compound 2q
C24H22N2O6     相似度:58.3%
Tetrahedron          2012          68          6914-6919
Visible light induced intermolecular [2+2]-cycloaddition reactions of 3-ylideneoxindoles through energy transfer pathway
You-Quan Zou, Shu-Wen Duan, Xiang-Gao Meng, Xiao-Qiang Hu, Shuang Gao, Jia-Rong Chen, Wen-Jing Xiao
Structure      13C NMR   碳谱模拟图

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11 .     3-Methyl-N-phenethyl-4-hydroxy-2,3-dehydro-γ-lactame
C13H15NO2     相似度:54.5%
Bioorganic & Medicinal Chemistry          2011          19          2823-2834
Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds
M. Sortino,F. Garibotto , V. Cechinel Filho,M. Gupta, R. Enriz, S. Zacchino
Structure      13C NMR   碳谱模拟图

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12 .     1-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-3-methyl-1H-indazole
C12H16Cl2N4     相似度:54.5%
Bioorganic & Medicinal Chemistry          2012          20          108-116
Synthesis and biological activities of 2-[(heteroaryl)methyl]imidazolines
Jaroslaw Saczewski,Alan Hudson, Mika Scheinin,Apolonia Rybczynska, Daqing Ma,Franciszek Saczewski, Shayna Laird, Jonne M. Laurila, Konrad Boblewski,Artur Lehmann, Jianteng Gu, Helena Watts
Structure      13C NMR   碳谱模拟图

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13 .     ethyl (5-methyl-1-phemyl-1,2,4-triazol-3-yl)acetate
    相似度:54.5%
Journal of Heterocyclic Chemistry          2007          44          393-401
A new series of non-classical type C heteropentalenes: 2H-pyrrolo[2,1-c][1,2,4]triazoles
Dietrich Moderhack and Jan-Christoph Schneider
Structure      13C NMR   碳谱模拟图

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14 .     ethyl 4-loro-2-nitrobenzoylacetate
    相似度:54.5%
Journal of Heterocyclic Chemistry          2003          40          617-623
Synthesis and biological properties of 4-substituted quinolin-2(1H)-one analogues
Jae-Chul Jung,Seikwan Oh,Won-Ki Kim,Woo-Kyu Park,Jae Yang Kong and Oee-Sook Park
Structure      13C NMR   碳谱模拟图

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15 .     2-(phenylsulfonylethyl)-1,2-dehydropyrrolidine
    相似度:54.5%
Journal of Heterocyclic Chemistry          2001          38          29-33
Synthesis of functionalized cyclic enamines from lithium alkylphenyl sulfones and N-carbo-tert-butoxy lactams
Luis A. Arias, David Arbelo, Arnaldo Alzérreca and José A. Prieto
Structure      13C NMR   碳谱模拟图

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16 .     N,N'-diethyl-2,8-diazadibenzo[c,i]spiro[5,5]undecan-1,7-dione
C21H22N2O2     相似度:54.5%
Journal of Heterocyclic Chemistry          2000          37          1305-1308
Synthesis of new C2 symmetrical dibenzospirodiamide and dibenzospirodiamine as potential chiral auxiliaries and building blocks of ionophores
Heung-Jin Choi, Yang Jin Park, Moon Goo Kim and Yeon Sil Park
Structure      13C NMR   碳谱模拟图

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17 .     5-methyl-1-phenylpyridazin-4(1H)-one
C11H10N2O     相似度:54.5%
Heterocycles          2008          75          2201-2211
Studies on Enamines and Azaenamines: 2-Oxoarylhydrazonals as C-1 Nucleophiles
Saleh M. Al-Mousawi, Moustafa Sherief Moustafa, and Mohamed Hilmy Elnagdi
Structure      13C NMR   碳谱模拟图

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18 .     methyl (6-bromo-2-oxo-2,3-dihydroindol-3-yl)acetate
C11H9NO3Br     相似度:54.5%
Heterocycles          2007          71          1539-1551
First Total Synthesis of (±)-Flustraminol B
Oscar R. Suárez-Castillo, Maricruz Sánchez-Zavala, Myriam Meléndez-Rodríguez, Eliazar Aquino-Torres, Martha S. Morales-Ríos, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图

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19 .     2-phenylimino-3-methyl-5-methylene-1,3-selenazolidine
C11H12N2Se     相似度:54.5%
Heterocycles          2006          68          1607-1615
One-Pot Synthesis of 2-Imino-1,3-selenazolidines by Reaction of Isoselenocyanates with Propargylamine
Mamoru Koketsu,* Tsutomu Sakai, Takashi Kiyokuni, Dinesh R. Garud, Hiromune Ando, and Hideharu Ishihara
Structure      13C NMR   碳谱模拟图

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20 .     2-(4-chlorophenyl)imino-3-methyl-5-methylene-1,3-selenazolidine
C11H11ClN2Se     相似度:54.5%
Heterocycles          2006          68          1607-1615
One-Pot Synthesis of 2-Imino-1,3-selenazolidines by Reaction of Isoselenocyanates with Propargylamine
Mamoru Koketsu,* Tsutomu Sakai, Takashi Kiyokuni, Dinesh R. Garud, Hiromune Ando, and Hideharu Ishihara
Structure      13C NMR   碳谱模拟图

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21 .     4,4'-(Phenylmethylene)bis(3-methyl-1-phenyl-1H-pyrazol-5-ol)
C27H24N4O2     相似度:54.5%
Bioorganic & Medicinal Chemistry Letters          2009          19          4501-4503
Synthesis and antiviral activity of 4,4'-(arylmethylene)bis(1H-pyrazol-5-ols) against peste des petits ruminant virus (PPRV)
Kuppusamy Sujatha, Gnanamani Shanthi, Nagarajan Panneer Selvam, Seeralan Manoharan, Paramasivan T. Perumal, Melani Rajendran
Structure      13C NMR   碳谱模拟图

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22 .     1-Ethyl-1H-indole-2,3-dione 3-Oxime
C10H10N2O2     相似度:54.5%
Helvetica Chimica Acta          2010          93          2454-2466
Microwave-Assisted Three-Component Synthesis of Some Novel 1-Alkyl-1H-indole-2,3-dione 3-(O-Alkyl­oxime) Derivatives as Potential Chemotherapeutic Agents
Mohammad Navid Soltani Rad, Ali Khalafi-Nezhad, Somayeh Babamohammadi and Somayeh Behrouz
Structure      13C NMR   碳谱模拟图

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23 .     compound 3
    相似度:54.5%
Bioorganic & Medicinal Chemistry          1997          5          1369-1380
Microbial biotransformations of a synthetic immunomodulating agent, HR325
Isabelle Lacroix, Jacques Biton, Robert Azerad
Structure      13C NMR   碳谱模拟图

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24 .     compound 9b
    相似度:54.5%
European Journal of Organic Chemistry          2012                   1994-2000
Highly Efficient Synthesis of Ureas and Carbamates from Amides by Iodosylbenzene-Induced Hofmann Rearrangement
Peng Liu, Zhiming Wang and Xianming Hu
Structure      13C NMR   碳谱模拟图

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25 .     methyl [(Z)-4-(3-methoxycarbonylmethyl-5-oxo-1-phenyl-1,5-dihydro-1H-pyrazol-4-ylidene)methyl-5-hydroxy-1-phenyl-1H-pyrazol-3-yl]acetate
C25H22N4O6     相似度:54.5%
Heterocycles          2003          61          197-223
Transformations of Alykl (5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetates into 5-Heteroaryl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylates
David Bevk, Renata Jakse, Jurij Svete,* Amalija Golobic, Ljubo Golic, and Branko Stanovnik*
Structure      13C NMR   碳谱模拟图

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26 .     1-tert-butyl-3-methyl-5-phenylpyrazole
    相似度:54.5%
Heterocycles          2001          55          331-352
Scope and Limitations in the Regioselective Synthesis of 1,3,5-Trisubstituted Pyrazoles from β-Amino Enones and Hydrazine Derivatives. 13C-Chemical Shift Prediction Rules for 1,3,5-Trisubstituted Pyrazoles
Angel Alberola, Luis Calvo Bleye, Alfonso González-Ortega,* M. Luisa Sádaba, and M. Carmen Sañudo
Structure      13C NMR   碳谱模拟图

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27 .     ethyl 2-benzyl-3-oxobutanoate
C13H16O3     相似度:54.5%
Canadian Journal of Chemistry          2011          89          1533-1538
Direct benzylation of 1,3-dicarbonyl compounds catalyzed by Cs2.5H0.5PW12O40 in solvent-free conditions
Ezzat Rafiee, Maryam Khodayari, Mohammad Joshaghani
Structure      13C NMR   碳谱模拟图

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28 .     3,3-dimethyl-2-(1H-pyrazol-4-yl)-3H-indolium chloride
C13H14ClN3     相似度:54.5%
Journal of Heterocyclic Chemistry          2011          48          663-670
Reactions of 2-(diformylmethylidene)-3,3-dimethylindole with hydrazides: Synthesis of new pyrazolylindolenine derivatives—the unprecedented one-pot pyrazole–thiadiazole double annulation
Hamid Khaledi, Hapipah Mohd Ali, Noel Francis Thomas and Seik Weng Ng
Structure      13C NMR   碳谱模拟图

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29 .     1,3-dimethyl-5-phenyl-4-(trifluoromethyl)pyrazole
C12H11F3N2     相似度:54.5%
Tetrahedron          2012          68          2636-2649
Syntheses of 2-(trifluoromethyl)-1,3-dicarbonyl compounds through direct trifluoromethylation with CF3I and their application to fluorinated pyrazoles syntheses
Yuhki Ohtsuka, Daisuke Uraguchi, Kyoko Yamamoto, Kenji Tokuhisa, Tetsu Yamakawa
Structure      13C NMR   碳谱模拟图

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30 .     3-[3-(4-nitrophenyl)thioureido]phenylboronic acid
C13H12BN3O4S     相似度:54.5%
European Journal of Organic Chemistry          2010                   3237-3248
Towards Selective Recognition of Sialic Acid Through Simultaneous Binding to Its cis-Diol and Carboxylate Functions
Martín Regueiro-Figueroa, Kristina Djanashvili, David Esteban-Gómez, Andrés de Blas, Carlos Platas-Iglesias and Teresa Rodríguez-Blas
Structure      13C NMR   碳谱模拟图

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31 .     8-chloro-7-iodo-2-phenylimidazo[1,2-a]pyridine
    相似度:54.5%
Molecules          2012          17          10683-10707
Regiocontrolled Microwave Assisted Bifunctionalization of 7,8-Dihalogenated Imidazo[1,2-a]pyridines: A One Pot Double-Coupling Approach
Emilie Marie, Sébastien Bouclé, Cécile Enguehard-Gueiffier and Alain Gueiffier
Structure      13C NMR   碳谱模拟图

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32 .     anti-2-(N-methylamino)-1-phenyl-1-propanol
C10H15N     相似度:54.5%
Canadian Journal of Chemistry          2004          82          87-101
Diastereoselective reduction of α-aminoketones: Synthesis of anti- and syn-β-aminoalcohols
David S Fraser, Sheldon B Park, J Michael Chong
Structure      13C NMR   碳谱模拟图

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33 .     ethyl 5-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
C13H11F3N2O2     相似度:54.5%
Tetrahedron          2013          69          257-263
Pyrazole-3/5-carboxylic acids from 3/5-trifluoromethyl NH-pyrazoles
Mikhail S. Ermolenko, Sandrine Guillou, Yves L. Janin
Structure      13C NMR   碳谱模拟图

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34 .     4-(2-methoxy-3-methylphenyl)butanoic acid
C12H16O3     相似度:54.5%
Química Nova          2008          31          813-817
Bioreduction of substituted a-tetralones promoted by Daucus carota root
Ferraz, Helena M. C.; Bianco, Graziela G.; Bombonato, Fernanda I.; Andrade, Leandro H.; Porto, André L. M.
Structure      13C NMR   碳谱模拟图

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35 .     compound
C14H10O2     相似度:54.5%
Tetrahedron          2013          69          3287-3292
A synthetic route to chiral C(3)-functionalized phthalides via a Ag(I)-catalyzed allylation/transesterification sequence
Roya Mirabdolbaghi, Travis Dudding
Structure      13C NMR   碳谱模拟图

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36 .     (-)-(S)-2-(3-Hydroxy-2-oxoindolin-3-yl)acetamide
C10H10N2O3     相似度:54.5%
Journal of Natural Products          2012          75          1167-1176
Alkaloids from the Root of Isatis indigotica
Minghua Chen, Lishe Gan, Sheng Lin, Xiaoliang Wang, Li Li, Yuhuan Li, Chenggen Zhu, Yanan Wang, Bingya Jiang, Jiandong Jiang, Yongchun Yang, and Jiangong Shi
Structure      13C NMR   碳谱模拟图

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37 .     (±)-2-(2-Oxoindolin-3-yl)acetamide
C10H10N2O2     相似度:54.5%
Journal of Natural Products          2012          75          1167-1176
Alkaloids from the Root of Isatis indigotica
Minghua Chen, Lishe Gan, Sheng Lin, Xiaoliang Wang, Li Li, Yuhuan Li, Chenggen Zhu, Yanan Wang, Bingya Jiang, Jiandong Jiang, Yongchun Yang, and Jiangong Shi
Structure      13C NMR   碳谱模拟图

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38 .     (S)-Ethyl 3-(methylamino)-3-phenylpropanoate
C12H17NO2     相似度:54.5%
Tetrahedron          2012          68          5522-5532
Synthesis of chiral β-amino acid derivatives by asymmetric hydrosilylation with an imidazole derived organocatalyst
Simon Jones, Xianfu Li
Structure      13C NMR   碳谱模拟图

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39 .     phenethyl pyrrole-2-carboxylate
C13H13NO2     相似度:54.5%
Natural Medicines          1995          49          24-28
Studies on the Constituents and Anatomical Characteristics of the Sparganii Rhizome Derived from Sparganium stoloniferum BUCH.-HAM.
MIYAICHI YUKINORI,MATSUURA YOKO,YAMAJI SEIICHI,NAMBA TSUNEO,TOMIMORI TSUYOSHI
Structure      13C NMR   碳谱模拟图

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40 .     compound IV-02a
C11H10N2O2     相似度:54.5%
Chinese Journal of Pesticide Science          2012          14          597-601
Synthesis and antimicrobial activity of 1-acyl benzimidazolone amide derivatives
LI Fangfang; WEI Shaopeng; ZONG Zhaofeng; JI Zhiqin
Structure      13C NMR   碳谱模拟图

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41 .     N-Methoxy-3-(2-(methoxy(methyl)amino)-2-oxoethyl)-N-methylisonicotinamide
C12H17N3O4     相似度:54.5%
Journal of Heterocyclic Chemistry          2012          49          613-620
Studies on Reactive Pyridylketones Formed by Weinreb Transformations
Vegar Stockmann, Svein Jacob Kaspersen, Alexander Nicolaisen and Anne Fiksdahl
Structure      13C NMR   碳谱模拟图

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42 .     5-carboethoxy-6-methyl-4-phenyl-3,4-dihydro-pyridine-2-one
C15H17NO3     相似度:53.8%
Journal of Heterocyclic Chemistry          2008          45          349-357
Simple and efficient one-pot synthesis of 3,4-dihydro-2-pyridones via solid-supported Bi(III)nitrate catalyzed double michael addition-azaannulation
Jagjeet Singh,Summon Koul,Rattan L. Sharma,Tej K. Razdan and Ajay P. S. Pannu
Structure      13C NMR   碳谱模拟图

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43 .     (Z)-6-chloro-2-(dimethylamino)methyl-4-propylidene-4H-3,1-benzoxazine
C14H17ClN2O     相似度:53.8%
Heterocycles          2010          81          1253-1259
Synthesis of 4-Alkylidene-2-(dimethylamino)methyl-4H-3,1-benzoxazines by the Reaction of Alkyl 2-Isocyanophenyl Ketones with Eschenmoser's Salt
Kazuhiro Kobayashi, Yuta Okamura, Shuhei Fukamachi, and Hisatoshi Konishi
Structure      13C NMR   碳谱模拟图

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44 .     compound 2
    相似度:53.8%
Tetrahedron Letters          2002          43          1969-1972
Isatin derivatives are reactive electrophilic components for the Baylis–Hillman reaction
Simon J Garden, Janet M.S Skakle
Structure      13C NMR   碳谱模拟图

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45 .     ethyl 2-[4-oxo-8-(4-chlorophenyl)-2H-3,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazin-3-yl]acetate
C15H17ClN4O3     相似度:53.8%
European Journal of Medicinal Chemistry          2006          41          1373-1384
Novel derivatives of methyl and ethyl 2-(4-oxo-8-aryl-2H-3,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazin-3-yl)acetates from biologically active 1-aryl-2-hydrazinoimidazolines: Synthesis, crystal structure and antiproliferative activity
Krzysztof Sztanke, Jolanta Rzymowska, Maciej Niemczyk, Izabela Dybała, Anna E. Kozioł
Structure      13C NMR   碳谱模拟图

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46 .     2-(1-Methyl-1H-indol-3-yl)-2-oxo-N-phenylacetamide
    相似度:53.3%
Tetrahedron          2012          68          573-579
A straightforward synthesis of N-monosubstituted α-keto amides via aerobic benzylic oxidation of amides
Jun Shao, Xiaomei Huang, Siyuan Wang, Bingxin Liu, Bin Xu
Structure      13C NMR   碳谱模拟图

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47 .     3-Indazol-1-yl-propionic acid ethyl ester
C12H14N2O2     相似度:50%
Molecules          2006          11          867-889
Synthesis and Structural Characterization of 1- and 2-Substituted Indazoles: Ester and Carboxylic Acid Derivatives
Fátima C. Teixeira, Hélène Ramos, Inês F. Antunes, M. J. Curto, M. T. Duarte and Isabel Bento
Structure      13C NMR   碳谱模拟图

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48 .     3-indazol-2-yl-propionic acid ethyl ester
C12H14N2O2     相似度:50%
Molecules          2006          11          867-889
Synthesis and Structural Characterization of 1- and 2-Substituted Indazoles: Ester and Carboxylic Acid Derivatives
Fátima C. Teixeira, Hélène Ramos, Inês F. Antunes, M. J. Curto, M. T. Duarte and Isabel Bento
Structure      13C NMR   碳谱模拟图

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49 .     5-(Morpholin-4-ylmethyl)-quinolin-8-ol
C14H16N2O2     相似度:50%
Molecules          2008          13          922-930
Selective Dendritic Fluorescent Sensors for Zn(II)
Feng Wang, Ruogu Peng and Yaowu Sha
Structure      13C NMR   碳谱模拟图

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50 .     3-Methyl-N-propylphenyl-4-hydroxy-2,3-dehydro-γ-lactame
C14H17NO2     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          2823-2834
Antifungal, cytotoxic and SAR studies of a series of N-alkyl, N-aryl and N-alkylphenyl-1,4-pyrrolediones and related compounds
M. Sortino,F. Garibotto , V. Cechinel Filho,M. Gupta, R. Enriz, S. Zacchino
Structure      13C NMR   碳谱模拟图

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51 .     2,4,6-tris[p-(1-N-7-azaindolyl)phenyl]-1,3,5-triazine
C42H27N9     相似度:50%
Canadian Journal of Chemistry          2006          84          477-485
7-Azaindolyl- and indolyl-functionalized starburst molecules with a 1,3,5-triazine or a benzene core -Syntheses and luminescence1
Wei-Hua Huang, Wen-Li Jia, and Suning Wang
Structure      13C NMR   碳谱模拟图

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52 .     N-Benzoylamino(3-nitrophenyl)methyl benzamide
C21H17N3O4     相似度:50%
Canadian Journal of Chemistry          2011          89          555–561
Silica-supported barium chloride (SiO2–BaCl2) —Efficient and heterogeneous catalyst for the environmentally friendly preparation of N, N'-alkylidene bisamides under solvent-free conditions
Mohammad Reza Mohammad Shafiee
Structure      13C NMR   碳谱模拟图

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53 .     Compoud 1
C24H27N5O2     相似度:50%
Tetrahedron Letters          2012          53          1169-1172
Highly selective and sensitive fluorescent chemosensor for Hg2+ in aqueous solution
Hsiu-Han Wu,Yao-Lin Sun,Chin-Feng Wan,Shih-Tse Yang,Shau-Jiun Chen,Ching-Han Hu,An-Tai Wu
Structure      13C NMR   碳谱模拟图

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54 .     2-Methyl-3-oxo-N,N-diphenylpentanamide
C18H19NO2     相似度:50%
Helvetica Chimica Acta          2012          95          353-403
Substrate Range of the Titanium TADDOLate Catalyzed Asymmetric Fluorination of Activated Carbonyl Compounds
Andreas Bertogg, Lukas Hintermann, Dominique P. Huber, Mauro Perseghini,Maria Sanna, and Antonio Togni
Structure      13C NMR   碳谱模拟图

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55 .     methyl (2S)-4-methylene-1-p-toluenesulfonylpyrrolidine-2-carboxylate
C14H17NO4S     相似度:50%
Chemical & Pharmaceutical Bulletin          2009          57          167-176
Conversion of 4-Oxoproline Esters to 4-Substituted Pyrrole-2-carboxylic Acid Esters
Yasushi Arakawa, Naomi Yagi, Yukimi Arakawa, Ken-ichi Tanaka and Shigeyuki Yoshifuji
Structure      13C NMR   碳谱模拟图

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56 .     1-methylthio-2-oxospiro(3H-indole-3,3'-1-pyrroline)
C12H12N2OS     相似度:50%
Organic letters          2001          3          4193-4196
A New Route to Spiropyrrolidinyl-oxindole Alkaloids via Iodide Ion Induced Rearrangement of [(N-Aziridinomethylthio)methylene]-2-oxindoles
U. K. Syam Kumar, Hiriyakkanavar Ila, and Hiriyakkanavar Junjappa
Structure      13C NMR   碳谱模拟图

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57 .     1-butyl-3-hydroxy-3-(phenylethynyl)indolin-2-one
C20H19NO2     相似度:50%
Journal of Heterocyclic Chemistry          2009          46          217-220
Synthesis and bioactivity evaluation of 3-hydroxy-3-(phenylethynyl)indol-2-one analogues
Gang Chen,Ye Wang,Suo Gao,Hong-Ping He,Shun-Lin Li,Jian-Xin Zhang,Jian Ding and Xiao-Jiang Hao
Structure      13C NMR   碳谱模拟图

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58 .     [2-(4-chloro-phenoxy)-2,3-dihydro-1H-1,3-diaza-2λ5-phosphaphenalen-2-ylidene]-isopropyl-amine
C19H19N3POCl     相似度:50%
Journal of Heterocyclic Chemistry          2008          45          1337-1341
Synthesis and bio-activity of novel iminophosphoranes
Ch. Mohan,B. Hari Babu,C. Naga Raju,C. Suresh Reddy and V. Janardhan Reddy
Structure      13C NMR   碳谱模拟图

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59 .     1,5-dimethyl-3-hydroxy-2-oxo-3-trifluoromethylindole
C11H10F3NO2     相似度:50%
Journal of Heterocyclic Chemistry          2008          45          969-972
Synthesis of new 3-(trifluoromethyl)-1H-indoles by reduction of trifluoromethyloxoindoles
Moônica M. Bastos,Lúcia M. U. Mayer,Elza C. S. Figueira,Marcio Soares,Núbia Boechat and Warner B. Kover
Structure      13C NMR   碳谱模拟图

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60 .     5-nitro-3-hydroxy-1-methyl-2-oxo-3-trifluoromethylindole
    相似度:50%
Journal of Heterocyclic Chemistry          2008          45          969-972
Synthesis of new 3-(trifluoromethyl)-1H-indoles by reduction of trifluoromethyloxoindoles
Moônica M. Bastos,Lúcia M. U. Mayer,Elza C. S. Figueira,Marcio Soares,Núbia Boechat and Warner B. Kover
Structure      13C NMR   碳谱模拟图

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61 .     3-butyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-phenylpyrazole
C14H17F3N2O     相似度:50%
Journal of Heterocyclic Chemistry          2007          44          1195-1199
Microwave assisted regiospecific synthesis of 5-trifluoromethyl-4,5-dihydropyrazoles and—pyrazoles
Marcos A. P. Martins,Claudio M. P. Pereira,Sidnei Moura,Clarissa P. Frizzo,Paulo Beck,Nilo Zanatta,Helio G. Bonacorso and Alex F. C. Flores
Structure      13C NMR   碳谱模拟图

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62 .     (±)-3-(3-phenylpropyl)-2-indolinone
C17H17NO     相似度:50%
Journal of Heterocyclic Chemistry          2004          41          563-568
Diastereoselective synthesis of substituted 2,3,4,5-tetrahydro-1H-1-benzazepine-5-carboxylic esters by a tandem reduction-reductive animation reaction
Richard A. Bunce,Lara B. Johnson and Elizabeth M. Holt
Structure      13C NMR   碳谱模拟图

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63 .     4-acetoxymethyltetrazolo[1,5-a]quinoline
C12H10N4O2     相似度:50%
Journal of Heterocyclic Chemistry          2003          40          1103-1106
Synthesis of 4H-tetrazolo[1,5-a][1]benzazepines from the baylis-hillman adducts of 2-azidobenzaldehyde
Chang Hoon Lee,Young Seok Song,Hyun In Cho,Je Woo Yang and Kee-Jung Lee
Structure      13C NMR   碳谱模拟图

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64 .     1-[(5-carbethoxy)-1,2,3-triazol-4-yl]benzimidazolone
C12H11N5O3     相似度:50%
Journal of Heterocyclic Chemistry          2000          37          1169-1176
1-(1,2,3-triazol-4-yl)-benzimidazolones, a new series of heterocyclic derivatives
Lucia Bertelli, Giuliana Biagi, Vincenzo Calderone, Irene Giorgi, Oreste Livi, Valerio Scartoni and Pier Luigi Barili
Structure      13C NMR   碳谱模拟图

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65 .     2-(3-phenylpropyl)-2,3-dihydro-1H-isoindole
C17H19N     相似度:50%
Indian Journal of Chemistry          2009          48B          545-552
An efficient method for the synthesis of 2,3-dihydro-1H-isoindoles
Subbarayappa,Adimurthy; Patoliya,Paresh U
Structure      13C NMR   碳谱模拟图

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66 .     2-[1-(4-methylbenzoyl)azetidin-3-yl]thio-1,3-thiazoline
C14H16N2OS2     相似度:50%
Heterocycles          2009          78          1777-1786
Reaction of 1-Azabicyclo[1.1.0]butane with Activated Amides
Kazuhiko Hayashi, Eiko Kujime, Hajime Katayama, Shigeki Sano, and Yoshimitsu Nagao
Structure      13C NMR   碳谱模拟图

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67 .     2-methyl-1-[(E)-p-tolyliminomethyl]-1H-imidazole-4,5-dicarbonitrile
C14H11N5     相似度:50%
Heterocycles          2009          78          2245-2262
Reactions of 9-Aryl-6-cyanopurines with Primary Amines
Amal Al-Azmi and K. Anita Kumari
Structure      13C NMR   碳谱模拟图

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68 .     3-Furan-2-yl-3-methyl-1,3-dihydroindol-2-one
    相似度:50%
Heterocycles          2007          74          491-506
Utilization of the Antiaromatic 2H-Indol-2-one Ring System for the Synthesis of Substituted Spiro-Oxindoles
Dylan B. England, Gokce Merey, and Albert Padwa
Structure      13C NMR   碳谱模拟图

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69 .     3-cyano-5-methylimidocarboethoxy-4-(4-methylphenyl)isoxazole
C14H13N3O2     相似度:50%
Heterocycles          2004          63          1659-1665
Chemical Behavior of 3,5-Dicyanoisoxazoles
Mina Tamura, Tae Nishimura, Nagatoshi Nishiwaki,* and Masahiro Ariga*
Structure      13C NMR   碳谱模拟图

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70 .     (2E,4E)-5-[2-(4-isopropylphenyl)-2H-tetrazol-5-yl]penta-2,4-dienoic acid
C15H16N4O2     相似度:50%
Heterocycles          2004          63          2287-2307
New Preparative Route to Hetaryldienes and Azadienes
Ildikó Nagy, György Hajós,* and Zsuzsanna Riedl
Structure      13C NMR   碳谱模拟图

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71 .     1-Benzyl-4-phthalimidomethyl-1,2,3-triazole
C18H14N4O2     相似度:50%
Molecules          2010          15          3087-3120
Automated Synthesis of a 96 Product-Sized Library of Triazole Derivatives Using a Solid Phase Supported Copper Catalyst
Ibtissem Jlalia, Claire Beauvineau, Sophie Beauvière, Esra Önen, Marie Aufort, Aymeric Beauvineau, Eihab Khaba, Jean Herscovici, Faouzi Meganem and Christian Girard
Structure      13C NMR   碳谱模拟图

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72 .     1,3-Dimethyl-7-phenyl-1H-pyrano[2,3-c:6,5-c]dipyrazol-4(7H)-one
C15H12N4O2     相似度:50%
Molecules          2010          15          6106-6126
Heterocyclic Analogues of Xanthone and Xanthione. 1H-Pyrano[2,3-c:6,5-c]dipyrazol-4(7H)-ones and Thiones: Synthesis and NMR Data
Barbara Datterl, Nicole Tröstner, Dorota Kucharski and Wolfgang Holzer
Structure      13C NMR   碳谱模拟图

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73 .     Ethyl-6-methyl-4-(2-nitrophenyl)-2,5-dihydro-3-pyridazincarboxylat
C14H15N3O4     相似度:50%
Pharmazie          2002          57          362-371
Pyridazino[3,4-c]chinoline und Pyridazino[4,5-c]chinoline - Synthese und Prüfung auf Lipoxygenase-Hemmung
K. Görlitzer - J. Fabian - P.G. Jones - P. Frohberg - G. Drutkowski
Structure      13C NMR   碳谱模拟图

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74 .     compound 7a
C14H18NO3F3     相似度:50%
Tetrahedron Letters          2002          43          2827-2830
Lewis acid activation of chiral 2-trifluoromethyl-1,3-oxazolidines. Application to the stereoselective synthesis of trifluoromethylated amines, α- and β-amino acids
Nicolas Lebouvier, Christophe Laroche, Florent Huguenot, Thierry Brigaud
Structure      13C NMR   碳谱模拟图

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75 .     compound 3b
C12H15NO     相似度:50%
Tetrahedron Letters          2002          43          9163-9165
A new synthesis of 3-alkyl-1-isoindolinones
Eng-Chi Wang, Hsien-Fan Chen, Pei-Kuan Feng, Yu-Li Lin, Ming-Kuan Hsu
Structure      13C NMR   碳谱模拟图

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76 .     4-(4-Trifluoromethylbenzylsulfanyl)pyridine-2-carboxylic acid
    相似度:50%
Archiv der Pharmazie          2009          342          394-404
Preparation and in-vitro Evaluation of 4-Benzylsulfanylpyridine-2-carbohydrazides as Potential Antituberculosis Agents
Petra Herzigová, Vera Klimešová, Karel Palát, Jarmila Kaustová, Hans-Martin Dahse and Ute Möllmann
Structure      13C NMR   碳谱模拟图

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77 .     Ethyl 4-(4-trifluoromethylbenzylsulfanyl)pyridine-2-carboxylate
    相似度:50%
Archiv der Pharmazie          2009          342          394-404
Preparation and in-vitro Evaluation of 4-Benzylsulfanylpyridine-2-carbohydrazides as Potential Antituberculosis Agents
Petra Herzigová, Vera Klimešová, Karel Palát, Jarmila Kaustová, Hans-Martin Dahse and Ute Möllmann
Structure      13C NMR   碳谱模拟图

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78 .     2,3-dihydro-5-(2,3-dihydro-2-oxo-3-(2-pyridylmethyl)-1H-indol-3-yl)-3-(2-pyridylmethylene)-1H-indol-2-one
C28H20N4O2     相似度:50%
Archiv der Pharmazie          1996          329          541-549
Chemistry of Indoles Carrying a Basic Function,Part 31 Synthesis of Spiro[cyclopropane-1,3'[3H]indol]-2'(1'H)-ones with Antihypoxic Effects
István Moldvai, Eszter Gács-Baitz, Mihály Balázs, Mária Incze and Csaba Szántay
Structure      13C NMR   碳谱模拟图

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79 .     6-(4-Chlorophenylurenyl) saccharin
    相似度:50%
Bioorganic & Medicinal Chemistry          2012          20          2811-2821
New saccharin derivatives as tyrosinase inhibitors
Nahit Gençer, Dudu Demir, Fatih Sonmez, Mustafa Kucukislamoglu
Structure      13C NMR   碳谱模拟图

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80 .     3,4-dimethyl-6-(3-nitrophenyl)isoxazolo[3,4-d]pyridazin-7(6H)-one
C13H10N4O4     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          202-213
Isoxazole analogues bind the System Xc- transporter: Structure–activity relationship and pharmacophore model
Sarjubhai A. Patel, Trideep Rajale, Erin O’Brien, David J. Burkhart, Jared K. Nelson, Brendan Twamley, Alex Blumenfeld, Monika I. Szabon-Watola, John M. Gerdes, Richard J. Bridges, Nicholas R. Natale
Structure      13C NMR   碳谱模拟图

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81 .     2-hydroxy-naphthaldehyde thiosemicarbazone
C12H11N3OS     相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          5189-5198
Novel thiosemicarbazone derivatives as potential antitumor agents: Synthesis, physicochemical and structural properties, DNA interactions and antiproliferative activity
Ivica Đilović, Mirta Rubčić, Višnja Vrdoljak, Sandra Kraljević Pavelić, Marijeta Kralj, Ivo Piantanida, Marina Cindrić
Structure      13C NMR   碳谱模拟图

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82 .     3,3-dimethyl-2-(1H-pyrazol-4-yl)-3H-indolium thiocyanate
C14H14N4S     相似度:50%
Journal of Heterocyclic Chemistry          2011          48          663-670
Reactions of 2-(diformylmethylidene)-3,3-dimethylindole with hydrazides: Synthesis of new pyrazolylindolenine derivatives—the unprecedented one-pot pyrazole–thiadiazole double annulation
Hamid Khaledi, Hapipah Mohd Ali, Noel Francis Thomas and Seik Weng Ng
Structure      13C NMR   碳谱模拟图

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83 .     8-methyl-2,3,5,6-tetrahydro-4H-1-oxa-3a-aza-phenalene
C12H15NO     相似度:50%
Journal of Heterocyclic Chemistry          2011          48          1187-1191
Synthesis of 2,3-dihydro-6H-1-oxa-3a-aza-phenalene and its benzo/hetero-fused analog
Pushpak Mizar, Mecadon Hormi, Mantu Rajbangshi and Bekington Myrboh
Structure      13C NMR   碳谱模拟图

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84 .     diethyl 2,6-dihydroxy-4-(4-methoxycarbonylphenyl)-2,6-bis(trifluoromethyl)tetrahydro-2H-pyran-3,5-dicarboxylate
C21H22F6O9     相似度:50%
Russian Journal of Organic Chemistry          2010          46          468-473
Synthesis of 2,6-bis(fluoroalkyl)-2,6-dihydroxytetrahydro-2H-pyran-3,5-dicarboxylates from aldehydes and fluorinated β-oxo esters in the presence of ionic liquid-K2CO3 as catalytic system
S. G. Zlotin, G. V. Kryshtal’, G. M. Zhdankina, A. V. Ignatenko and Ya. V. Burgart, et al.
Structure      13C NMR   碳谱模拟图

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85 .     compound E-IVf
C22H36Br2NOP     相似度:50%
Russian Journal of Organic Chemistry          2002          38          792-801
Phosphirenes and Azaphosphetines: X. 1-Aza-2-phosphabutadienes in Electrophilic Addition of P-Haloiminophosphines to 1-Alkoxyacetylenes: Synthesis and Chemical Properties
A. D. Averin, N. V. Lukashev, P. Mukhaiimana, A. A. Borisenko and M. A. Kazankova, et al.
Structure      13C NMR   碳谱模拟图

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86 .     (E)-3-(3'-methylbutylidene)-2-indolinone
C13H15NO     相似度:50%
Chemical & Pharmaceutical Bulletin          2012          60          571-577
Studies on the Constituents of Cimicifuga foetida Collected in Guizhou Province and Their Cytotoxic Activities
Lu Lu, Jian-Chao Chen, Yan Li, Chen Qing, Yuan-Yuan Wang, Yin Nian, Ming-Hua Qiu
Structure      13C NMR   碳谱模拟图

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87 .     N-benzylbenzimidazole
    相似度:50%
European Journal of Organic Chemistry          2011                   2827-2835
Building Heterocyclic Systems with RC(OR)2+ Carbocations in Recyclable Brønsted Acidic Ionic Liquids: Facile Synthesis of 1-Substituted 1H-1,2,3,4-Tetrazoles, Benzazoles and Other Ring Systems with CH(OEt)3 and EtC(OEt)3 in [EtNH3][NO3] and [PMIM(SO3H)][O
Gopalakrishnan Aridoss and Kenneth K. Laali
Structure      13C NMR   碳谱模拟图

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88 .     4-tert-butyl-2-(diphenylamino)phenol
C22H23NO     相似度:50%
European Journal of Organic Chemistry          2010                   6967-6973
Copper-Catalyzed Direct Synthesis of Di- and Triphenylamines: A Dramatic Accelerating Effect of 2-Aminophenols
Yaming Li, Huifeng Wang, Linlin Jiang, Fangfang Sun, Xinmei Fu and Chunying Duan
Structure      13C NMR   碳谱模拟图

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89 .     N-methoxy-N-methyl-4-[2-(pyridin-2-yl)ethyl]benzamide
C16H18N2O2     相似度:50%
European Journal of Organic Chemistry          2010                   4991-5003
Weinreb Amide Based Building Blocks for Convenient Access to Analogues of Phenstatin
Balasubramaniam Sivaraman and Indrapal Singh Aidhen
Structure      13C NMR   碳谱模拟图

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90 .     1-[4-(trifluoromethyl)phenyl]-1H-indole
    相似度:50%
European Journal of Organic Chemistry          2010                   6678-6684
Copper Iodide as a Recyclable Catalyst for Buchwald N-Arylation
Kokkirala Swapna, Sabbavarapu Narayana Murthy and Yadavalli Venkata Durga Nageswar
Structure      13C NMR   碳谱模拟图

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91 .     ethyl 1-(methylphen-ylcarbamoyl)cyclopropane carboxylate
C14H17NO3     相似度:50%
Journal of the American Chemical Society          2000          122          8155-8167
Rhodium(II)-Catalyzed Equilibration of Push-Pull Carbonyl and Ammonium Ylides. A Computationally Based Understanding of the Reaction Pathway
Albert Padwa, James P. Snyder, Erin A. Curtis, Scott M. Sheehan, Kimberly J. Worsencroft, and C. Oliver Kappe
Structure      13C NMR   碳谱模拟图

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92 .     2-[(2S)-2-(bromomethyl)pyrrolidin-1-yl]-1,3-benzoxazole
    相似度:50%
Helvetica Chimica Acta          2012          95          2176-2193
Chiral Proline-Based P,O and P,N Ligands for Iridium-Catalyzed Asymmetric Hydrogenation
Denise Rageot and Andreas Pfaltz
Structure      13C NMR   碳谱模拟图

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93 .     2-methyl-1-phenyl-1H-benzo[d]imidazole
C14H12N2     相似度:50%
Molecules          2012          17          12506-12520
Aqueous Synthesis of 1-H-2-Substituted Benzimidazoles via Transition-Metal-Free Intramolecular Amination of Aryl Iodides
Chunxia Chen, Chen Chen, Bin Li, Jingwei Tao and Jinsong Peng
Structure      13C NMR   碳谱模拟图

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94 .     5,6-dichloro-1-β-D-ribofuranosylbenzimidazol-2-one
    相似度:50%
Journal of Medicinal Chemistry          1995          38          4098-4105
Design, Synthesis, and Antiviral Activity of Certain 2,5,6-Trihalo-1-(.beta.-D-ribofuranosyl)benzimidazoles
Leroy B. Townsend, Rodrigo V. Devivar, Steven R. Turk, M. Reza Nassiri, John C. Drach
Structure      13C NMR   碳谱模拟图

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95 .     N-benzylbenzo[d]-oxazol-2-amine
C14H12N2O     相似度:50%
Bulletin of the Korean Chemical Society          2012          33          4109-4116
An Efficient Solid-phase Parallel Synthesis of 2-Amino and 2-Amidobenzo[d]oxazole Derivatives via Cyclization Reactions of 2-Hydroxyphenylthiourea Resin
Se-Lin Jung, Seul-Gi Kim, Gee-Hyung Lee, Young-Dae Gong
Structure      13C NMR   碳谱模拟图

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96 .     ethyl 5-benzyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
C14H16F3N2O2     相似度:50%
Tetrahedron          2013          69          257-263
Pyrazole-3/5-carboxylic acids from 3/5-trifluoromethyl NH-pyrazoles
Mikhail S. Ermolenko, Sandrine Guillou, Yves L. Janin
Structure      13C NMR   碳谱模拟图

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97 .     (S)-ethyl 3-hydroxy-3-(m-tolyl)propanoate
C12H16O3     相似度:50%
Tetrahedron          2013          69          3551-3560
Asymmetric β-boration of α,β-unsaturated carbonyl compounds with chiral Rh[bis(oxazolinyl)phenyl] catalysts
Kenji Toribatake, Li Zhou, Ayae Tsuruta, Hisao Nishiyama
Structure      13C NMR   碳谱模拟图

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98 .     1-benzyl-5-nitro-1H-indazole
C14H11N3O2     相似度:50%
Tetrahedron          2013          69          3907-3912
A method for the regioselective synthesis of 1-alkyl-1H-indazoles
Han-Jun Liu, Shiang-Fu Hung, Chuan-Lin Chen, Mei-Huey Lin
Structure      13C NMR   碳谱模拟图

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99 .     2(1,3-Diethyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
C14H17NO3     相似度:50%
Natural Product Communications          2011          6          457-464
Synthesis of Pyrrolidinoindolines from 2-(2-Oxo-3-indolyl)acetates: Scope and Limitations
Martha S. Morales-Ríos, Ernesto Rivera-Becerril, Daphne E. González-Juárez, Juan Benjamín García-Vázquez, Joel J. Trujillo-Serrato, Angelina Hernández-Barragán, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图

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100 .     3-Methyl-1H-inden-1-yl acetate
    相似度:50%
Tetrahedron          2012          68          5492-5497
Allenyl ester precursors for 1H-inden-1-ol carboxylates: comparisons with their propargylic equivalents having terminal alkyne functions
Martta Asikainen, Simon Woodward
Structure      13C NMR   碳谱模拟图

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101 .     3-(1-Methyl-1H-indole-2-carboxamido)propanoic acid
    相似度:50%
European Journal of Medicinal Chemistry          2012          56          246-253
Selective cytotoxicity and apoptosis induction in glioma cell lines by 5-oxygenated-6,7-methylenedioxycoumarins from Pterocaulon species
D.R. Vianna, L. Hamerski, F. Figueiró, A. Bernardi, L.C. Visentin, E.N.S. Pires, H.F. Teixeira, C.G. Salbego, V.L. Eifler-Lima, A.M.O. Battastini, G.L. von Poser, A.C. Pinto
Structure      13C NMR   碳谱模拟图

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102 .     3-(2,6-Dihydroxyphenyl)-isobenzofuran-1(3H) one
C14H10O4     相似度:50%
Molecules          2013          18          1881-1896
Synthesis and Antiproliferative Activity of C-3 Functionalized Isobenzofuran-1(3H)-ones
Róbson Ricardo Teixeira, Gustavo Costa Bressan, Wagner Luiz Pereira, Joana Gasperazzo Ferreira, Fabrício Marques de Oliveira and Deborah Campos Thomaz
Structure      13C NMR   碳谱模拟图

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