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41.5,49.2,55.2,112.9,115.3,124.5,126.0,127.8,130.7,131.2,133.7,147.3,147.4,156.0,171.2
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ppxiong: 金币+30, ★★★★★最佳答案, 非常感谢! 2012-06-18 19:27:06
查询模式:模糊查询  
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
41.5,49.2,55.2,112.9,115.3,124.5,126.0,127.8,130.7,131.2,133.7,147.3,147.4,156.0,171.2

  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
匹配容差: (数字格式,可自行设定)
相似度:  %(相似度>=50%)  




查询结果:共查到577个化合物(查询结果仅供参考)  
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1 .     3-amino-3-(4-hydroxy-3',4'-dimethoxybiphenyl-2-yl)propanoicacidhydrochloride
C17H19NO5     相似度:68.7%
Bioorganic & Medicinal Chemistry          2012          20          2614-2623
Synthesis of novel 7-oxo and 7-hydroxy trifluoroallocolchicinoids with cytotoxic effect
Elizabeth Chosson, Francesca Santoro, Christophe Rochais, Jana Sopkova-de Oliveira Santos, Rémi Legay, Sylviane Thoret, Thierry Cresteil, Maria Stefania Sinicropi, Thierry Besson, Patrick Dallemagne
Structure      13C NMR   碳谱模拟图

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2 .     1-(4'-methoxyphenylazo)naphthalene
C16H12N2O     相似度:66.6%
Helvetica Chimica Acta          1981          64          1452-1466
Cyclometalation of Arylazo Compounds. Part 1 synthesis and cyclopalladation of some substituted 1-arylazonaphthalenes. 1st Communication on compounds with a metal-arene σ-bond
Alfred J. Klaus, Paul Rys
Structure      13C NMR   碳谱模拟图

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3 .     (Z)-3-[2-(6-bromo-1,3-benzodioxol-5-yl)-1-ethenyl]-5-(methoxy)pyridine
C15H12BrNO3     相似度:66.6%
Tetrahedron          2001          57          4447-4454
The first total synthesis of toddaquinoline, an alkaloid from Toddalia asiatica
David C Harrowven, Michael I.T Nunn, Nigel J Blumire, David R Fenwick
Structure      13C NMR   碳谱模拟图

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4 .     yaequinolone A1
C16H15NO4     相似度:66.6%
The Journal of Antibiotics          2006          59          652-658
Yaequinolones, New Insecticidal Antibiotics Produced by Penicillium sp. FKI-2140 FREE
Ryuji Uchida, Rie Imasato, Hiroshi Tomoda and Satoshi mura
Structure      13C NMR   碳谱模拟图

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5 .     compound 5e
C22H15N2PO4Cl6     相似度:62.5%
Journal of Heterocyclic Chemistry          2004          41          1001-1004
Synthesis and antimicrobial activity of N-(substituted)-N-[1,2,4,8,10,11-hexachloro-6-oxido-12H-dibenzo(d,g)(1,3,2)-dioxaphosphocin-6-yl]ureas
P. Haranath,U. Anasuyamma,P. Vasu Govardhana Reddy and C. Sureshx Reddy
Structure      13C NMR   碳谱模拟图

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6 .     N-cis-feruloyltyramine
    相似度:62.5%
Natural Product Research and Development          2007          19          427-429
Studies on the Chemical Constituents of Pharbitis nil Choisy
WANG Jin-lan; LI Ling-na; HE Li-dong; ZHANG Shu-jun
Structure      13C NMR   碳谱模拟图

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7 .     compound 5b
C16H10N2O3     相似度:62.5%
Tetrahedron          2003          59          2885-2891
Synthetic studies of imbiline 1, a constituent of Eupomatia species
Yoshiyasu Kitahara, Masaaki Mochii, Masakazu Mori, Akinori Kubo
Structure      13C NMR   碳谱模拟图

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8 .     2-(2,3-Dihydro-8,9-dimethoxy-2-methyl-1H-2-benzazepin-4-yl)ethanol
    相似度:60%
Helvetica Chimica Acta          2009          92          2754-2761
A Novel Construction of 2-Benzazepine Scaffold Based on TiCl4-Mediated Tandem Mannich Reaction-Aromatic Electrophilic Substitution
Liangxi Li, Zhiming Li, Quanrui Wang
Structure      13C NMR   碳谱模拟图

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9 .     3(N)-(4-methoxyaniline)-5-hydroxy-1,4-naphthoquinon-4-imine
C17H14N2O3     相似度:60%
Molecules          2001          6          300-322
Synthesis and Electrophilic Substitution of Pyrido[2, 3, 4-kl]-acridines
Avi Koller, Amira Rudi, Marta G. Gravalos and Yoel Kashman
Structure      13C NMR   碳谱模拟图

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10 .     3,4-dihydroxy-5-prenylcinnamic acid
    相似度:60%
Chemical & Pharmaceutical Bulletin          1999          47          1521-1524
Isolation of Antioxidative Compounds from Brazilian Propolis : 3, 4-Dihydroxy-5-prenylcinnamic Acid, a Novel Potent Antioxidant
Katsuhiro HAYASHI,Sadaaki KOMURA,Noriko ISAJI,Nobuko OHISHI and Kunio YAGI
Structure      13C NMR   碳谱模拟图

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11 .     (4-Methoxy-phenyl)-quinolin-2-yl-amine
C16H14N2O     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          939-950
Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists
Raimo Saari, Jonna-Carita Törmä, Tapio Nevalainen
Structure      13C NMR   碳谱模拟图

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12 .     methyl 4-(imidazo[2,1-b]benzothiazol-2'-yl) benzoate
C17H12N2O2S     相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          1649-1657
Synthesis and biological evaluation of imidazolo[2,1-b]benzothiazole derivatives, as potential p53 inhibitors
Michael S. Christodoulou, Francesco Colombo, Daniele Passarella, Gabriella Ieronimo,Valentina Zuco, Michelandrea De Cesare, Franco Zunino
Structure      13C NMR   碳谱模拟图

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13 .     3-Methoxy-5-(1-phenyl-1H-tetrazol-5-ylthio)benzene-1,2-diol
C14H12O3N4S     相似度:60%
Chemical & Pharmaceutical Bulletin          2011          59(9)          1149-1152
Catecholthioether Derivatives: Preliminary Study of in-Vitro Antimicrobial and Antioxidant Activities
Hadi ADIBI, Atefeh RASHIDI, Mohammad Mehdi KHODAEI, Abdolhamid ALIZADEH, Mohammad Bagher MAJNOONI, Narges PAKRAVAN, Ramin ABIRI, and Davood NEMATOLLAHI
Structure      13C NMR   碳谱模拟图

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14 .     N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)picolinamide
C22H18N6O     相似度:60%
Bioorganic & Medicinal Chemistry Letters          2011          21          6964-6968
Synthesis and docking study of 2-phenylaminopyrimidine Abl tyrosine kinase inhibitors
Shuang Lü, Qun Luo, Xiang Hao, Xianchan Li, Liyun Ji, Wei Zheng, Fuyi Wang
Structure      13C NMR   碳谱模拟图

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15 .     4-chloro-3-iodo-2-(4-methoxyphenyl)quinoline
C16H11NOClI     相似度:60%
Journal of Heterocyclic Chemistry          2008          45          1343-1350
2-Aryl-4-azido-3-(bromo/iodo)quinolines as substrates for the synthesis of primary 4-amino-2,3-disubstituted quinoline derivatives
Malose J. Mphahlele and Vathiswa Mtshemla
Structure      13C NMR   碳谱模拟图

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16 .     3,4-dihydro-3-p-tolyl-2H-benzo[e][1,3]oxazine
C15H15NO     相似度:60%
Journal of Heterocyclic Chemistry          2010          47          125-130
One pot synthesis of [1,3]-oxazine and [1,3]-thiazine derivatives under thermal and microwave conditions
S. Tumtin, I. T. Phucho, A. Nongpiur, R. Nongrum, J. N. Vishwakarma, B. Myrboh and R. L. Nongkhlaw
Structure      13C NMR   碳谱模拟图

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17 .     compound
C23H30N6O2     相似度:60%
Heterocycles          2010          80          303-311
Characterization of Various O-Bisguanidinobenzene-Benzoic Acid Complexes in Solid and in Solution States
Takuya Kumamoto, Kazuaki Shikii, Masatoshi Kawahata, Kentaro Yamaguchi, Waka Nakanishi, Tsutomu Ishikawa, and Hiroko Seki
Structure      13C NMR   碳谱模拟图

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18 .     compound
C21H14ClN     相似度:60%
Heterocycles          2008          75          2523-2533
Green Approach for the Efficient Synthesis of Quinolines Promoted by Citric Acid
Ramu Enugala, Sreelatha Nuvvula, Vijay Kotra, Ravi Varala, and Srinivas R. Adapa
Structure      13C NMR   碳谱模拟图

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19 .     Compound 3a
C18H16N4O2     相似度:60%
Bioorganic & Medicinal Chemistry Letters          2009          19          5569-5572
Solvent free synthesis of 1,5-disubstituted tetrazoles derived from Baylis Hillman acetates as potential TNF-α inhibitors
P. Srihari, Palash Dutta, R. Srinivasa Rao, J.S. Yadav, S. Chandrasekhar, P. Thombare, J. Mohapatra, A. Chatterjee, Mukul R. Jain
Structure      13C NMR   碳谱模拟图

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20 .     Cannabisin G
C36H36N2O8     相似度:60%
Bioorganic & Medicinal Chemistry Letters          2010          20          5095-5098
Concise synthesis of Cannabisin G
Dawei Li, Wenling Li, Qian Wang, Zhaoqi Yang, Zijie Hou
Structure      13C NMR   碳谱模拟图

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21 .     [4-(5-Bromo-2-methoxyphenyl)thiazol-2-yl](phenyl)methanone
    相似度:60%
Molecules          2010          15          6019-6034
Synthesis of [4-(2-Hydroxyphenyl)thiazol-2-yl]methanones as Potential Bioisosteres of Salicylidene Acylhydrazides
J. Mikael Hillgren, Markus K. Dahlgren, Tam M. To and Mikael Elofsson
Structure      13C NMR   碳谱模拟图

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22 .     [4-(5-Chloro-2-methoxyphenyl)thiazol-2-yl](phenyl)methanone
    相似度:60%
Molecules          2010          15          6019-6034
Synthesis of [4-(2-Hydroxyphenyl)thiazol-2-yl]methanones as Potential Bioisosteres of Salicylidene Acylhydrazides
J. Mikael Hillgren, Markus K. Dahlgren, Tam M. To and Mikael Elofsson
Structure      13C NMR   碳谱模拟图

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23 .     Compound 2h
    相似度:60%
Magnetic Resonance in Chemistry          2009          47          174-178
1H and 13C spectral assignment of substituted 5H-[1, 3]thiazolo[2, 3-b]quinazolin-5-one and 12H-[1, 3]benzothiazolo[2, 3-b] quinazolin-12-one (pages 174–178)
Maite L. Docampo Palacios, Mirta L. Fascio, Anais Fernández Villalobo and Rolando F. Pellón
Structure      13C NMR   碳谱模拟图

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24 .     compound 9b
C16H13NO4     相似度:60%
Pharmazie          2003          58          83-94
Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones
K. Waisser - O. Bures - P. Holý - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann
Structure      13C NMR   碳谱模拟图

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25 .     compound 9d
C15H10ClNO4     相似度:60%
Pharmazie          2003          58          83-94
Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones
K. Waisser - O. Bures - P. Holý - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann
Structure      13C NMR   碳谱模拟图

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26 .     compound 9o
C16H10N2O4     相似度:60%
Pharmazie          2003          58          83-94
Antimycobacterial 3-aryl-2H-1,3-benzoxazine-2,4(3H)-diones
K. Waisser - O. Bures - P. Holý - J. Kunes - R. Oswald - L. Jirásková - M. Pour - V. Klimesová - K. Palát, Jr. - J. Kaustová - H.-M. Danse - U. Möllmann
Structure      13C NMR   碳谱模拟图

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27 .     8-(3-Methoxyphenyl)-8,9-dihydro-7H-isoindolo[5,6-g] quinoxaline-7,9-dione
    相似度:60%
Archives of Pharmacal Research          2006          29          276-281
Synthesis and cytotoxic activities of 8-alkyl or 8-aryl-8,9-dihydro-7H-isoindolo[5,6-g]quinoxaline-7,9-diones
Jae-Kyung Jung, Eun-Kyung Jung, Kwon Nam-Goong, Jung-Sook Cho and Hwan-Mook Kim, et al.
Structure      13C NMR   碳谱模拟图

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28 .     compound 5f
    相似度:60%
Tetrahedron Letters          2003          44          7549-7552
Preparation of diarylamines by the addition of 4-(N,N-dimethylamino)phenyllithium to nitroarenes
Tianle Yang, Bongsup P. Cho
Structure      13C NMR   碳谱模拟图

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29 .     compound 3a(Major isomer
C17H17NO3     相似度:60%
Tetrahedron Letters          2005          46          3715-3718
The synthesis of ‘tyrosyl’ peptidomimetics by acid-catalyzed N(1)-C(4) ring opening of 4-(4'-hydroxyphenyl)-azetidine-2-ones
Pijus Kumar Mandal, Larry A. Cabell, John S. McMurray
Structure      13C NMR   碳谱模拟图

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30 .     4,18-Benzyl-3,6.7,14,15,18,24-heptaaza-2,5,16,19,25-pentaoxotricyclo[3,18,1,19,12]pentacosa-1(23),7,9,11,13,20,22-heptaene
C31H27N7O5     相似度:60%
Zeitschrift für Naturforschung B          2003          58          861-868
Synthesis of Some New Chiral Tricyclic and Macrocyclic Pyridine Derivatives as Antimicrobial Agents
A. E.-G. E. Amr, A. M. Mohamed, and A. A. Ibrahim
Structure      13C NMR   碳谱模拟图

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31 .     N-(4-{4-[2-(4-Chlorophenyl)-4-oxothiazolidin-3-ylamino]quinazolin-2-yl}phenyl)-4-methylbenzenesulfonamide
C30H24ClN5O3S2     相似度:60%
Zeitschrift für Naturforschung B          2006          61          1012-1020
Synthesis and Antimicrobial Activity of Some Annelated Quinazoline Derivatives
A. A. Aly
Structure      13C NMR   碳谱模拟图

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32 .     2-(benzotriazol-1-yl)quinoline
C15H10N4     相似度:60%
Heterocycles          2001          55          1703-1710
α-Benzotriazolylpyridines and Their N-Oxides
Alan R. Katritzky,* Thomas Kurz, Suoming Zhang, Michael Voronkov, and Peter J. Steel
Structure      13C NMR   碳谱模拟图

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33 .     7-(2-furyl)-[3-(4-methoxybenzylamino)]-3H-[1,2,3]triazolo[4,5-d]pyrimidine
C16H13N5O2     相似度:60%
Bioorganic & Medicinal Chemistry          2010          18          7274-7282
Synthesis of non-purine analogs of 6-aryl-9-benzylpurines, and their antimycobacterial activities. Compounds modified in the imidazole ring
Abhijit Datta Khoje, Aisvareya Kulendrn, Colin Charnock, Baojie Wan, Scott Franzblau, Lise-Lotte Gundersen
Structure      13C NMR   碳谱模拟图

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34 .     compound 6
C14H12N3O2     相似度:60%
Tetrahedron          2003          59          6539-6544
Novel alkaloids of the aaptamine class from an Indonesian marine sponge of the genus Xestospongia
Laurent Calcul, Arlette Longeon, Ali Al Mourabit, Michèle Guyot, Marie-Lise Bourguet-Kondracki
Structure      13C NMR   碳谱模拟图

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35 .     N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide
C14H11N3O5S2     相似度:60%
Bioorganic & Medicinal Chemistry          2009          17          3332-3341
Synthesis, in vitro and computational studies of protein tyrosine phosphatase 1B inhibition of a small library of 2-arylsulfonylaminobenzothiazoles with antihyperglycemic activity
Gabriel Navarrete-Vazquez, Paolo Paoli, Ismael León-Rivera, Rafael Villalobos-Molina, Jose Luis Medina-Franco, Rolffy Ortiz-Andrade, Samuel Estrada-Soto, Guido Camici, Daniel Diaz-Coutiño, Itzell Gallardo-Ortiz, Karina Martinez-Mayorga, Hermenegilda Moren
Structure      13C NMR   碳谱模拟图

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36 .     (2E)-3-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-propen-1-one
C16H13NO4     相似度:60%
Journal of Heterocyclic Chemistry          2011          48          613-619
(±)-2-Aryl-2,3-dihydro-4(1H)-quinolinones by a tandem reduction–Michael addition reaction
Richard A. Bunce and Baskar Nammalwar
Structure      13C NMR   碳谱模拟图

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37 .     N-(4-bromophenylmethylidene)quinolin-5-amine
C16H11BrN2     相似度:60%
Russian Journal of Organic Chemistry          2009          45          1070-1078
Reductive transformations of Schiff bases in the synthesis of functionally substituted heteroaromatic amines
Zh. V. Ignatovich, A. P. Kadutskii, E. V. Koroleva, A. V. Baranovskii and K. N. Gusak
Structure      13C NMR   碳谱模拟图

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38 .     (E)-2-(3-(pyridin-3-yl)but-2-en-2-yl)phenol
    相似度:60%
Organic Magnetic Resonance          1984          22          272-273
Carbon-13 chemical shift assignment of E-Hydroxyazastilbenes
Elżbieta Wyrzykiewicz, Andrzej Lpucha and Urszula Sylwestrzak
Structure      13C NMR   碳谱模拟图

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39 .     2-(4-Methoxyphenyl)-4-methyl-3-pyridinecarboxylic acid
C14H13NO3     相似度:60%
Journal of Natural Products          2011          74          1169-1174
Isolation and Synthesis of Antiproliferative Eupolauridine Alkaloids of Ambavia gerrardii from the Madagascar Dry Forest
Ende Pan, Shugeng Cao, Peggy J. Brodie, Martin W. Callmander, Richard Randrianaivo, Stephan Rakotonandrasana, Etienne Rakotobe, Vincent E. Rasamison, Karen TenDyke, Yongchun Shen, Edward M. Suh, and David G. I. Kingston
Structure      13C NMR   碳谱模拟图

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40 .     phaitanthrin E
C17H12N2O3     相似度:58.8%
Journal of Natural Products          2008          71(7)          1275-1279
Isolation, Structure Elucidation, and Synthesis of Cytotoxic Tryptanthrin Analogues from Phaius mishmensis
Chen-Wei Jao, Wei-Chih Lin, Yao-Ting Wu, and Pei-Lin Wu
Structure      13C NMR   碳谱模拟图

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41 .     N-(4'-(imidazo[2,1-b]benzothiazol-2''-yl)benzyl)-3-aminopropanamide
C19H18N4OS     相似度:58.8%
Bioorganic & Medicinal Chemistry          2011          19          1649-1657
Synthesis and biological evaluation of imidazolo[2,1-b]benzothiazole derivatives, as potential p53 inhibitors
Michael S. Christodoulou, Francesco Colombo, Daniele Passarella, Gabriella Ieronimo,Valentina Zuco, Michelandrea De Cesare, Franco Zunino
Structure      13C NMR   碳谱模拟图

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42 .     4-amino-2-(4-methoxyphenyl)-3-phenylquinoline
C22H18N2O     相似度:58.8%
Journal of Heterocyclic Chemistry          2008          45          1343-1350
2-Aryl-4-azido-3-(bromo/iodo)quinolines as substrates for the synthesis of primary 4-amino-2,3-disubstituted quinoline derivatives
Malose J. Mphahlele and Vathiswa Mtshemla
Structure      13C NMR   碳谱模拟图

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43 .     2-methoxy-5,6,11,12-tetrahydro-dibenzo[a,e]cyclooctene-5,11-imin-11-carbamide
C18H18N2O     相似度:58.8%
Journal of Heterocyclic Chemistry          2008          45          1651-1658
Synthesis of new fused isoquinolines via reissert compounds
Christian Fuchs,Christoph Bender,Burkhard Ziemer and Jürgen Liebscher
Structure      13C NMR   碳谱模拟图

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44 .     1-(2,4-dichlorophenyl)-1,2-dihydronaphtho[1,2-e][1,3]oxazin-3-one
C18H11Cl2NO2     相似度:58.8%
Journal of Heterocyclic Chemistry          2010          47          313-317
An efficient one-pot three component synthesis of 1,2-dihydro-1-arylnaphtho[1,2-e][1,3]oxazine-3-ones using montmorillonite K10 under solvent free conditions
Srinivas Kantevari, Srinivasu V. N. Vuppalapati, Rajashaker Bantu and Lingaiah Nagarapu
Structure      13C NMR   碳谱模拟图

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45 .     4-Chloro-3-(4-fluorophenyl)-2-(4-methoxyphenyl)quinoline
C22H15FNOCl     相似度:58.8%
Molecules          2010          15          7423-7437
One-Pot Synthesis of 2,3,4-Triarylquinolines via Suzuki-Miyaura Cross-Coupling of 2-Aryl-4-chloro-3-iodoquinolines with Arylboronic Acids
Malose Jack Mphahlele and Mamasegare Mabel Mphahlele
Structure      13C NMR   碳谱模拟图

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46 .     compound 3b
C19H16N     相似度:58.8%
Tetrahedron Letters          2005          46          2307-2309
Cycloadditions of 8,8-dicyanoheptafulvene to styrenes: manifestation of dual reactivity modes
Vijay Nair, K.G. Abhilash, Burkhard Zeimer
Structure      13C NMR   碳谱模拟图

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47 .     compound 8a
    相似度:56.2%
Chemical & Pharmaceutical Bulletin          1988          36          4760-4768
Imidazo[2, 1-b]benzothiazoles. I
ABDEL-NASSER EL-SHORBAGI,SHIN-ICHIRO SAKAI,MAHMOUD A. EL-GENDY,NABIL OMAR and HASSAN H. FARAG
Structure      13C NMR   碳谱模拟图

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48 .     2-Phenyl-5-(4-methoxyphenyl)-7H,8H-pyrimido[1,6-b]pyridazin-6,8-dione
C20H15N3O3     相似度:56.2%
Molecules          2007          12          2643-2657
Synthesis of a New Scaffold: the 7H, 8H-Pyrimido[1, 6-b]pyridazin-6, 8-dione Nucleus
Franciszek Herold, Małgorzata Kałucka, Marek Król, Joanna Herold, Jerzy Kleps and Jadwiga Turło
Structure      13C NMR   碳谱模拟图

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49 .     afzeliindanone
C16H14O3     相似度:56.2%
Natural Product Research          2009          23          909-915
A novel 1-indanone isolated from Uvaria afzelii roots
T. Okpekon; M. Millot; P. Champy; C. Gleye; S. Yolou; C. Bories; P. Loiseau; A. Laurens; R. Hocquemiller
Structure      13C NMR   碳谱模拟图

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50 .     N-反式阿魏酸酪酰胺(N-ci-feruloyltyramine)
C18H19NO4     相似度:56.2%
China Journal of Chinese Materia Medica          2011          Vol 36,Issue 8          1032-1036
Studies on anti-tumormetastatic constituents from Lindera glauca
WANG Ran, TANG Shengan, ZHAI Huiyuan, DUAN Hongquan
Structure      13C NMR   碳谱模拟图
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