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youyuanwin

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C谱数据
173.84;154.19;140.30;132.67;129.54;128.69;128.41;126.51;115.46;51.83;36.17;30.74;30.22;
氚代试剂:氯仿
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youyuanwin: 金币+5, ★★★★★最佳答案, 谢谢 2014-03-22 09:30:34
查询结果:共查到636个化合物(查询结果仅供参考)  
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1 .     1-[2-[4-(2-Methylthiazolyl)phenyl]-1-propanone
C13H13NOS     相似度:69.2%
Canadian Journal of Chemistry          2005          83          755-763
Rhodium-catalyzed C-H–CO–olefin coupling reactions - A chelation-assisted direct carbonylation at the ortho C-H bond in the benzene ring of 2-arylpyridines1
Naoto Chatani, Takeshi Uemura, Taku Asaumi, Yutaka Ie, Fumitoshi Kakiuchi, and Shinji Murai
Structure      13C NMR   碳谱模拟图
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2 .     methyl 4-(4-chlorophenylsulfonyl)-3-(4-chlorophenyl)butyrate
C17H16Cl2O4S     相似度:69.2%
Journal of Heterocyclic Chemistry          2008          45          1633-1639
Michael adducts of vinyl sulfones — source for thiadiazoles,oxadiazoles and triazoles
Venkatapuram Padmavathi,Guda Dinneswara Reddy and Gali Sudhakar Reddy
Structure      13C NMR   碳谱模拟图
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3 .     5-[2'-phenyl-3'-(phenylmethanesulfonyl)propyl]-1,3,4-oxa-diazole-2-thiol
C18H18N2O3S2     相似度:69.2%
Journal of Heterocyclic Chemistry          2008          45          1633-1639
Michael adducts of vinyl sulfones — source for thiadiazoles,oxadiazoles and triazoles
Venkatapuram Padmavathi,Guda Dinneswara Reddy and Gali Sudhakar Reddy
Structure      13C NMR   碳谱模拟图
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4 .     compound 3e
C17H16Cl2O4S     相似度:69.2%
Indian Journal of Chemistry Section B          2008          47B          1713-1725
Synthesis of a new class of 2-oxazolines and 2-thiazolines
Padmaja,A; Payani,T; Mahesh,K
Structure      13C NMR   碳谱模拟图
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5 .     3-Phenylpropyl-3-(3,4-dihydroxyphenyl)propanoate
C18H20O4     相似度:66.6%
Molecules          2012          17          14637-14650
Synthesis and Antiradical/Antioxidant Activities of Caffeic Acid Phenethyl Ester and Its Related Propionic, Acetic, and Benzoic Acid Analoguesc
Luc M. LeBlanc, Aurélie F. Paré, Jacques Jean-François, Martin J. G. Hébert, Marc E. Surette and Mohamed Touaibia
Structure      13C NMR   碳谱模拟图
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6 .     methyl 2-(1-methoxy-1-oxopent-4-en-2-yl)benzoate
C14H16O4     相似度:64.2%
Journal of Heterocyclic Chemistry          2009          46          392-398
Facile synthesis of 4-alkoxycarbonylisoquinoline-1,3-diones and 5-alkoxycarbonyl-2-benzazepine-1,3-diones via a mild alkaline cyclization
Muriel Billamboz,Fabrice Bailly and Philippe Cotelle
Structure      13C NMR   碳谱模拟图
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7 .     Compound 6a
C18H19N5O     相似度:64.2%
Bioorganic & Medicinal Chemistry Letters          2008          18          2820-2824
New tetrazole-based selective anandamide uptake inhibitors
Giorgio Ortar, Aniello Schiano Moriello, Maria Grazia Cascio, Luciano De Petrocellis, Alessia Ligresti, Enrico Morera, Marianna Nalli, Vincenzo Di Marzo
Structure      13C NMR   碳谱模拟图
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8 .     7-Benzylamino-5,7,8,9-tetrahydrobenzocyclohepten-6-one,oxime
C18H20N2O     相似度:62.5%
Bioorganic & Medicinal Chemistry          2011          19          1434-1449
Amino-benzosuberone: A novel warhead for selective inhibition of human aminopeptidase-N/CD13
Sébastien Albrecht, Mira Al-Lakkis-Wehbe, Alban Orsini, Albert Defoin, Patrick Pale,Emmanuel Salomon, Céline Tarnus, Jean-Marc Weibel
Structure      13C NMR   碳谱模拟图
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9 .     N-Benzyl-N-methyl-l-tyrosinol
    相似度:61.5%
Helvetica Chimica Acta          2009          92          677-678
N-Stereogenic Quaternary Ammonium Salts' from L-Amino Acids: Synthesis, Separation, and Absolute Configuration
Hua-Fang Wu, Wen-Bin Lin, Li-Zi Xia, Ying-Gang Luo, Xiao-Zhen Chen, Guo-You Li, Guo-Lin Zhang, Xin-Fu Pan
Structure      13C NMR   碳谱模拟图
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10 .     methyl 3-(p-hydroxyphenyl)propionate
    相似度:61.5%
Journal of Natural Products          1995          Vol 58          209-216
Modified Labdane Diterpenes from Amphiachyris amoena
Michael J. Pcolinski, Dónal P. O'Mathúna, Raymond W. Doskotch
Structure      13C NMR   碳谱模拟图
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11 .     2-(N-(S)-(-)-α-methylbenzyl)amino-3-nitroimidazo[1,2-a]pyridine
C15H14N4O2     相似度:61.5%
Journal of Heterocyclic Chemistry          2006          43          565-569
Some nucleophilic substitutions in 2-cyano-3-nitroimidazo[1,2-a]pyridine
Lucina Arias,Héactor Salgado-Zamora,Elena Campos,Alicia Reyes,Humberto Cervantes and Edward C. Taylor
Structure      13C NMR   碳谱模拟图
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12 .     compound 14d
C19H20ClNO2S2     相似度:61.5%
Indian Journal of Chemistry Section B          2008          47B          1713-1725
Synthesis of a new class of 2-oxazolines and 2-thiazolines
Padmaja,A; Payani,T; Mahesh,K
Structure      13C NMR   碳谱模拟图
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13 .     n-butyl 3-phenylpropanoate
    相似度:61.5%
Heterocycles          2009          77          1269-1283
Rhodium-Catalyzed Conjugate Addition of Sb-Aryl-1,5-azastibocines to α,β-Unsaturated Carbonyl Compounds
Naoki Kakusawa, Shuji Yasuike, and Jyoji Kurita
Structure      13C NMR   碳谱模拟图
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14 .     Compound 7a
C17H16N4O     相似度:61.5%
Bioorganic & Medicinal Chemistry Letters          2008          18          2820-2824
New tetrazole-based selective anandamide uptake inhibitors
Giorgio Ortar, Aniello Schiano Moriello, Maria Grazia Cascio, Luciano De Petrocellis, Alessia Ligresti, Enrico Morera, Marianna Nalli, Vincenzo Di Marzo
Structure      13C NMR   碳谱模拟图
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15 .     Compound 10a
C17H16N4O2     相似度:61.5%
Bioorganic & Medicinal Chemistry Letters          2008          18          2820-2824
New tetrazole-based selective anandamide uptake inhibitors
Giorgio Ortar, Aniello Schiano Moriello, Maria Grazia Cascio, Luciano De Petrocellis, Alessia Ligresti, Enrico Morera, Marianna Nalli, Vincenzo Di Marzo
Structure      13C NMR   碳谱模拟图
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16 .     对羟基苯丙酸甲酯
C10H12O3     相似度:61.5%
Chinese Journal of Medicinal Chemistry          2005          15          103-107
Studies on the chemical constituents of Bulbophyllum odoratissimum Lindl.
LIU Dai-lin, PANG Fa-gen, ZHANG Jia-xin, WANG Nai-li, YAO Xin-sheng
Structure      13C NMR   碳谱模拟图
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17 .     N-Methyl-N-(4-phenylbutan-2-yl)aniline
C17H21N     相似度:61.5%
Molecules          2012          17          5151-5163
Communication: A Facile One-Pot Process for the Formation of Hindered Tertiary Amines
Zhouyu Wang, Dong Pei, Yu Zhang, Chao Wang and Jian Sun
Structure      13C NMR   碳谱模拟图
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18 .     3-(4-methoxy-3-bromethylphenyl)-propionic acid methylester
C12H15O3Br     相似度:61.5%
Bioorganic & Medicinal Chemistry          2010          18          4149-4153
Oligonucleotide-selenide conjugate: Synthesis and its inducible sequence-specific alkylation of DNA
Yuhao Du, Xiaocheng Weng, Jing Huang, Dan Zhang, Heng Ma, Dong Chen, Xiang Zhou, Jean-François Constant
Structure      13C NMR   碳谱模拟图
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19 .     4,7-bis(3-hexylthiophen-2-yl)benzo[c][2,1,3]thiadiazole
C26H32N2S3     相似度:61.5%
European Journal of Organic Chemistry          2011                   4841-4852
Alternating Copolymers Based on 2,1,3-Benzothiadiazole and Hexylthiophene: Positioning Effect of Hexyl Chains on the Photophysical and Electrochemical Properties
Ashraf A. El-Shehawy, Nabiha I. Abdo, Ahmed A. El-Barbary and Jae-Suk Lee
Structure      13C NMR   碳谱模拟图
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20 .     methyl cinnamate
C10H12O2     相似度:61.5%
Natural Product Communications          2012          7          1341-1346
Cytotoxic Bioactivity of some Phenylpropanoic Acid Derivatives
Guillermo F. Reta, Carlos E. Tonn, Carla Ríos-Luci, Leticia G. León, Eduardo Pérez-Roth, José M. Padrón, and Osvaldo J. Donadel
Structure      13C NMR   碳谱模拟图
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21 .     6-(4-chlorophenyl)-3-methyl-1-phenyl-3,4-dihydropyrimidin-2(1H)-one
C17H15N2OCl     相似度:61.5%
Tetrahedron          2013          69          5744-5750
Cationic dirhodium carboxylate-catalyzed synthesis of dihydropyrimidones from propargyl ureas
Miao Yang, Shannon J. Odelberg, Zongzhong Tong, Dean Y. Li, Ryan E. Looper
Structure      13C NMR   碳谱模拟图
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22 .     (4R,E)-methyl 4-acetoxy-6-phenylhex-5-enoate
C15H18O4     相似度:61.5%
Tetrahedron          2013          69          7771-7778
A C–H oxidation approach for streamlining synthesis of chiral polyoxygenated motifs
Dustin J. Covell, M. Christina White
Structure      13C NMR   碳谱模拟图
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23 .     (±)-trans-2,4-diphenethylazetidine
C19H23N     相似度:61.5%
Bioorganic & Medicinal Chemistry          2013          21          6771-6777
Synthesis and evaluation of novel azetidine analogs as potent inhibitors of vesicular [3H]dopamine uptake
Derong Ding, Justin R. Nickell, Agripina G. Deaciuc, Narsimha Reddy Penthala, Linda P. Dwoskin, Peter A. Crooks
Structure      13C NMR   碳谱模拟图
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24 .     4-(4-pentylphenyl)-1-vinyl-1H-1,2,3-triazole
C15H19N3     相似度:61.5%
Bioorganic & Medicinal Chemistry          2013          21          7929-7937
Synthesis and biological evaluation of 3-hydroxymethyl-5-(1H-1,2,3-triazol) isoxazolidines
Roberto Romeo, Salvatore V. Giofrè, Caterina Carnovale, Agata Campisi, Rosalba Parenti, Lorenzo Bandini, Maria A. Chiacchio
Structure      13C NMR   碳谱模拟图
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25 .     compound 9a
    相似度:61.5%
Canadian Journal of Chemistry          1977          55          4184-4190
13C magnetic resonance studies 70. The behavior of bicyclo[2.2.2]octenone under strongly basic conditions. A competition between retro Diels–Alder and Haller-Bauer-cleavages
A. K. Cheng, J. B. Stothers
Structure      13C NMR   碳谱模拟图
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26 .     Benzyl 3-(4-chlorophenyl)propanoate
    相似度:61.5%
Tetrahedron          2012          68          8293-8299
Chemoselective hydrogenation using molecular sieves-supported Pd catalysts: Pd/MS3A and Pd/MS5A
Tohru Takahashi, Masatoshi Yoshimura, Hiroyasu Suzuka, Tomohiro Maegawa, Yoshinari Sawama, Yasunari Monguchi, Hironao Sajiki
Structure      13C NMR   碳谱模拟图
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27 .     Methyl 2-phenylselenobenzoate
C14H12O2Se     相似度:61.5%
Tetrahedron          2012          68          10523-10529
Palladium-catalyzed vinylselenation of allenes
Shin-ichi Fujiwara, Maiko Okuyama, Susumu Tsuda, Takanori Iwasaki, Hitoshi Kuniyasu, Nobuaki Kambe
Structure      13C NMR   碳谱模拟图
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28 .     (Z)-3-(Methoxycarbonylamino)-2,3-diphenylacrylic acid
C17H15NO4     相似度:61.5%
Journal of Heterocyclic Chemistry          2012          49          358-362
Reaction of 2-Alkoxy-4,5-diphenyl-1,3-oxazin-6-one with different alcohols and elucidation of the products
Amir Assadieskandar, Mohsen Amini, Matti Haukka and Abbas Shafiee
Structure      13C NMR   碳谱模拟图
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29 .     3-Oxo-2,5-diphenylpentanenitrile
C17H15NO     相似度:61.5%
Tetrahedron          2013          69          10331-10336
Synthesis of β-ketonitriles, α,β-alkynones and biscabinols from esters using tert-butoxide-assisted C(double bond; length as m-dashO)–C (i.e., acyl–C) coupling under ambient conditions Original Research Article
Bo Ram Kim, Hyung-Geun Lee, Seung-Beom Kang, Kwang-Ju Jung, Gi Hyeon Sung, Jeum-Jong Kim, Sang-Gyeong Lee, Yong-Jin Yoon
Structure      13C NMR   碳谱模拟图
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30 .     dihydroplicatin B
C15H20O3     相似度:60%
Journal of Natural Products          1999          62          102-106
Structure-Antimutagenic Activity Relationship Study of Plicatin B1, 2
Sanjay R. Menon, Vishal K. Patel, Lester A. Mitscher, Peter Shih, Segaran P. Pillai, and Delbert M. Shankel
Structure      13C NMR   碳谱模拟图
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31 .     Methyl (2S)-2-benzylamino-3-(4-tert-butoxy-phenyl)-propionate
    相似度:60%
Bioorganic & Medicinal Chemistry          2011          19          1115-1122
Responsive Mn(II) complexes for potential applications in diagnostic Magnetic Resonance Imaging
Gabriele A. Rolla, Lorenzo Tei, Marianna Fekete, Francesca Arena, Eliana Gianolio, Mauro Botta
Structure      13C NMR   碳谱模拟图
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32 .     2-[3-(tert-butyldimethylsilyloxy)-1-phenylhepta-1,6-dienyl]-5,6-dihydro-4H-[1,3]oxazine
C23H35NO2Si     相似度:60%
Heterocycles          2004          63          2495-2514
Synthesis of N-Bridgehead Fused Bicyclic β-Lactams through Organometal-mediated Transformations of 1,2-Dialkenylaziridines
Paolo Davoli, Alberto Spaggiari, Elisa Ciamaroni, Arrigo Forni, Giovanni Torre, and Fabio Prati*
Structure      13C NMR   碳谱模拟图
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33 .     (5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylhept-3-one
C19H22O3     相似度:60%
Journal of Natural Medicines          2013          67          773-781
Antiviral activity of diarylheptanoid stereoisomers against respiratory syncytial virus in vitro and in vivo
Katsuhiko Konno, Motofumi Miura, Masaharu Toriyama, Shigeyasu Motohashi, Rie Sawamura, Wataru Watanabe, Hiroki Yoshida, Masahiko Kato, Ryuichi Yamamoto, Ken Yasukawa, Masahiko Kurokawa
Structure      13C NMR   碳谱模拟图
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34 .     (5RS)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylhapt-3-one
C19H22O3     相似度:60%
Journal of Natural Medicines          2013          67          773-781
Antiviral activity of diarylheptanoid stereoisomers against respiratory syncytial virus in vitro and in vivo
Katsuhiko Konno, Motofumi Miura, Masaharu Toriyama, Shigeyasu Motohashi, Rie Sawamura, Wataru Watanabe, Hiroki Yoshida, Masahiko Kato, Ryuichi Yamamoto, Ken Yasukawa, Masahiko Kurokawa
Structure      13C NMR   碳谱模拟图
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35 .     2-acetylphenyl 3-phenylpropanoate
C17H16O3     相似度:60%
Tetrahedron          2013          69          9391-9397
Cu(II)-catalyzed oxidative esterification of 2-carbonyl substituted phenols from the alcohol oxidation level Original Research Article
Satyasheel Sharma, Jihye Park, Mirim Kim, Jong Hwan Kwak, Young Hoon Jung, In Su Kim
Structure      13C NMR   碳谱模拟图
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36 .     dihydrokawain
    相似度:57.1%
Phytochemistry          2002          59          429-433
Kavalactones from Piper methysticum, and their 13C NMR spectroscopic analyses
H. Ranjith W. Dharmaratne, N.P. Dhammika Nanayakkara, Ikhlas A. Khan
Structure      13C NMR   碳谱模拟图
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37 .     compound 15
C18H19NO3     相似度:57.1%
Chemical & Pharmaceutical Bulletin          1987          35          2646-2655
Highly Regioselective Synthesis of Trisubstituted Pyrrolidines by 1, 3-Cycloaddition
NOBUYUKI IMAI and KAZUO ACHIWA
Structure      13C NMR   碳谱模拟图
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38 .     (Z)-3-benzyl-5-(4-hydroxybenzylideno)furan-2(5H)-one
C18H14O3     相似度:57.1%
Molecules          2007          12          1101-1116
Synthesis and Cytotoxic Activity of Some 3-Benzyl-5-Arylidenefuran-2(5H)-ones
Róbson R. Teixeira, Luiz C. Barbosa, Célia R. Maltha, Marcelo E. Rocha, Daniel P. Bezerra, Letícia V. Costa-Lotuf, Cláudia Pessoa and Manoel O. Moraes
Structure      13C NMR   碳谱模拟图
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39 .     2,3-dicarbomethoxy-1-methyl-4(1H)-quinolinone
    相似度:57.1%
Natural Product Research          1995          7          219-225
New Alkaloids from Sarcomelicope dogniensis
Sofia Mitaku; Alexios-Leandros Skaltsounis; Francois Tillequin; Michel Koch; Jacques Pusset; Thierry Sevenet
Structure      13C NMR   碳谱模拟图
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40 .     (E)-4-(2,3-dihydrocinnamoyloxy)cinnamic acid
C18H16O4     相似度:57.1%
Chemical & Pharmaceutical Bulletin          1999          47          1388-1392
Studies on the Constituents of Brazilian Propolis. II
Shigemi TAZAWA,Tsutomu WARASHINA and Tadataka NORO
Structure      13C NMR   碳谱模拟图
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41 .     2-(4'-chlorophenyl)-3-iodo-1-methylquinolin-4(1H)-one
C16H11NO35ClI     相似度:57.1%
Journal of Heterocyclic Chemistry          2006          43          255-260
Synthesis and further studies of chemical transformation of the 2-aryl-3-halogenoquinolin-4(1H)-one derivatives
Malose J. Mphahlele,Mutshinyalo S. Nwamadi and Peace Mabeta
Structure      13C NMR   碳谱模拟图
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42 .     1,2,3,4,5,6-Hexahydro-3-trimethylacetyl-3-benzazocine
C16H23NO     相似度:57.1%
Heterocycles          2009          77          575-585
8-Endo-Selective Aryl Radical Cyclization Leading to 3-Benzazocines
Tsuyoshi Taniguchi, Hisaaki Zaimoku, and Hiroyuki Ishibashi
Structure      13C NMR   碳谱模拟图
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43 .     methyl (2S,3S)-3-(benzamido)-2-hydroxy-4-phenylbutanoate
    相似度:57.1%
Heterocycles          2007          73          191-195
Diastereoselective Approach to an HIV Protease Inhibitor Intermediate Using a Cation-Exchange Resin Mediated Mannich-Type Reaction
Makoto Shimizu, Yukinori Hayashi, Ryosuke Hamanaka, and Iwao Hachiya
Structure      13C NMR   碳谱模拟图
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44 .     Methyl 3-(4-Methylphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
C18H16N2O2     相似度:57.1%
Helvetica Chimica Acta          2010          93          277-280
One-Pot Synthesis of Functionalized 3-Aryl-1-phenyl-1H-pyrazoles from Hydrazonoyl Chlorides and Acetylenic Esters in the Presence of Ph3P
Issa Yavari, Gholamhossein Khalili and Anvar Mirzaei
Structure      13C NMR   碳谱模拟图
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45 .     (±)-(4R,5S)-7-Ethyl-2-methyl-4-phenyl-2,7,9-triazaspiro[4.5]decane-6,8-dione
C16H21N3O2     相似度:57.1%
Molecules          2010          15          2269-2301
Synthesis of Dihydrouracils Spiro-Fused to Pyrrolidines: Druglike Molecules Based on the 2-Arylethyl Amine Scaffold
Daniel Blanco-Ania, Carolina Valderas-Cortina, Pedro H.H. Hermkens, Leo A.J.M. Sliedregt, Hans W. Scheeren and Floris P.J.T. Rutjes
Structure      13C NMR   碳谱模拟图
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46 .     Compound 1a
    相似度:57.1%
Magnetic Resonance in Chemistry          2002          40          293-299
1H and 13C NMR spectral assignments of 2, 4-diaryl-substituted cycloalkyl[d]pyrimidines
Antonio Herrera, Roberto Martínez-Alvarez, Mourad Chioua, ángel Sánchez, Dolores Molero and Rachid Chioua
Structure      13C NMR   碳谱模拟图
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47 .     Kaousine
C14H15NO3     相似度:57.1%
Fitoterapia          2010          81          632-635
New amide alkaloid from the aerial part of Piper capense L.f. (Piperaceae)
Ali Mohamed Kaou, Valérie Mahiou-Leddet, Cécile Canlet, Laurent Debrauwer, Sébastien Hutter, Nadine Azas, Evelyne Ollivier
Structure      13C NMR   碳谱模拟图
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48 .     1-Amino-2-(2-bromophenyl) indoline
    相似度:57.1%
Tetrahedron Letters          2002          43          3577-3580
Intramolecular aromatic amination by a hydrazino group for the synthesis of indolo[1,2-b]indazole derivatives
Yong-ming Zhu, Yoshimitsu Kiryu, Hajime Katayama
Structure      13C NMR   碳谱模拟图
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49 .     (E)-5-Phenyl-2-(phenylmethyl)-2-pentenal
    相似度:57.1%
Tetrahedron Letters          2003          44          927-930
Diphenylboron perchlorate as an efficient catalyst for self- and cross-condensation reactions of aldehydes having α-active hydrogens
Syun-ichi Kiyooka, Hiroshi Fujimoto, Masaaki Mishima, Shinjiro Kobayashi, Khabir Md Uddin, Mizue Fujio
Structure      13C NMR   碳谱模拟图
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50 .     Enamide
C14H17NO2     相似度:57.1%
Tetrahedron Letters          2005          46          4035-4038
Sequential N-acylamide methylenation-enamide ring-closing metathesis: a synthetic entry to 1,4-dihydroquinolines
M.-Lluïsa Bennasar, Tomàs Roca, Manuel Monerris, Davinia García-Díaz
Structure      13C NMR   碳谱模拟图
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51 .     compound 11
    相似度:57.1%
Heterocycles          2011          82          1663-1668
Synthesis of Polycyclic Aromatics from a Diiodosultine by Suzuki-Miyaura Cross-Coupling and Diels-Alder Reaction
Sambasivarao Kotha* and Milind Meshram
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

52 .     1,3-Diphenyl-5-piperidino-1H-pyrazole
C20H21N3     相似度:57.1%
European Journal of Organic Chemistry          2012                   967-974
Highly Regioselective One-Pot, Three-Component Synthesis of 1-Aryl-3,4-Substituted/Annulated-5-(Cycloamino)/(Alkylamino)pyrazoles from β-Oxodithioesters
Ganesh C. Nandi, Maya S. Singh, Hiriyakkanavar Ila and Hiriyakkanavar Junjappa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

53 .     Methyl (4S*,6S*)-2,6-Diphenyl-5,6-dihydro-4H-1,3-oxazine-4-carboxylate
C16H13NO     相似度:57.1%
European Journal of Organic Chemistry          2012                   391-397
One-Pot Conversion of Serine Derivatives and Amino Sugars into Oxazine Derivatives of γ-Aryl-γ-(hydroxy)amines
Alicia Boto, Juan A. Gallardo and Eleuterio álvarez
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

54 .     2-[phenyl(phenylthio)methyl]cyclohexanone
    相似度:57.1%
Heterocycles          2000          53          331-337
A Convenient Route to β-Phenylthioalkyl Ketones
Alan R. Katritzky,* Yunfeng Fang, Daming Feng, Alina Silina, and Indra Prakash
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

55 .     6-[(4-phenyl)-phenoxy]-1-hexanol
C18H22O2     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          3481-3493
Synthesis and evaluation of verticipyrone analogues as mitochondrial complex I inhibitors
Simon J. Leiris, Omar M. Khdour, Zachary J. Segerman, Krystal S. Tsosie, Jean-Charles Chapuis, Sidney M. Hecht
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

56 .     3-[2-(4-hydroxy-phenyl)-ethyl]-5-methyl-5-phenyl-4,5-dihydroisoxazole
C18H19NO2     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          3437-3447
Synthesis and biological evaluation of phenolic 4, 5-dihydroisoxazoles and 3-hydroxy ketones as estrogen receptor α and β agonists
Pekka K. Poutiainen, Tuomas A. Venäläinen, Mikael Peräkylä, Juha M. Matilainen, Sami Väisänen, Paavo Honkakoski, Reino Laatikainen, Juha T. Pulkkinen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

57 .     3-[3-(4-hydroxy-phenyl)-propyl]-5-phenyl-4,5-dihydroisoxazole
C18H21NO2     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          3437-3447
Synthesis and biological evaluation of phenolic 4, 5-dihydroisoxazoles and 3-hydroxy ketones as estrogen receptor α and β agonists
Pekka K. Poutiainen, Tuomas A. Venäläinen, Mikael Peräkylä, Juha M. Matilainen, Sami Väisänen, Paavo Honkakoski, Reino Laatikainen, Juha T. Pulkkinen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

58 .     5-hydroxy-6-(4-hydroxy-phenyl)-1-phenyl-hexan-3-one
C18H20O3     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          3437-3447
Synthesis and biological evaluation of phenolic 4, 5-dihydroisoxazoles and 3-hydroxy ketones as estrogen receptor α and β agonists
Pekka K. Poutiainen, Tuomas A. Venäläinen, Mikael Peräkylä, Juha M. Matilainen, Sami Väisänen, Paavo Honkakoski, Reino Laatikainen, Juha T. Pulkkinen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

59 .     1-hydroxy-6-(4-hydroxy-phenyl)-1-phenyl-hexan-3-one
C18H20O3     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          3437-3447
Synthesis and biological evaluation of phenolic 4, 5-dihydroisoxazoles and 3-hydroxy ketones as estrogen receptor α and β agonists
Pekka K. Poutiainen, Tuomas A. Venäläinen, Mikael Peräkylä, Juha M. Matilainen, Sami Väisänen, Paavo Honkakoski, Reino Laatikainen, Juha T. Pulkkinen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

60 .     ethyl 1-benzyl-2,3,6,7-tetrahydro-1H-azepine-2-carboxylate
C16H21NO2     相似度:57.1%
Russian Journal of Organic Chemistry          2010          46          1277-1281
Synthesis of non-natural cyclic amino acids from available unsaturated tertiary amines
I. D. Titanyuk and I. P. Beletskaya
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

61 .     methyl 1-(4-methoxyphenyl)-4-(phenylsulfonyl)-1H-pyrazole-3-carboxylate
    相似度:57.1%
European Journal of Organic Chemistry          2010                   6440-6447
Regiocontrolled Synthesis of Ring-Fused Thieno[2,3-c]pyrazoles through 1,3-Dipolar Cycloaddition of Nitrile Imines with Sulfur-Based Acetylenes
Jay Zumbar Chandanshive, Bianca Flavia Bonini, Denis Gentili, Mariafrancesca Fochi, Luca Bernardi and Mauro Comes Franchini
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

62 .     4-phenyl-7-chloro-1,2,3,4-tetrahydronaphth-1-one oxime
    相似度:57.1%
Journal of Medicinal Chemistry          1994          37          3789-3811
5-Phenyl-3-ureidobenzazepin-2-ones as Cholecystokinin-B Receptor Antagonists
John A. Lowe III, David L. Hageman, Susan E. Drozda, Stafford McLean, Dianne K. Bryce, Rosemary T. Crawford, Stevin Zorn, Jean Morrone, Jon Bordner
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

63 .     (R)-methyl 7-(benzyloxy)-3-methylheptanoate
C16H25O3     相似度:57.1%
Tetrahedron          2013          69          2419-2429
Total synthesis of palmyrolide A and its 5,7-epi isomers
Gangarajula Sudhakar, Karla Janardhan Reddy, Jagadeesh Babu Nanubolu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

64 .     N'-(3-cyano-4-morpholino-5-phenylthiophen-2-yl)-N,N-dimethylformimidamide
C18H20ON4S     相似度:57.1%
Bioorganic & Medicinal Chemistry          2013          21          2229-2240
Discovery of thienopyrimidine-based inhibitors of the human farnesyl pyrophosphate synthase—Parallel synthesis of analogs via a trimethylsilyl ylidene intermediate
Chun-Yuen Leung, Adrienne M. Langille, John Mancuso, Youla S. Tsantrizos
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

65 .     3-(2,2-Dimethyl-2H-chromen-6-yl)propionic Acid Methyl Ester
C15H18O3     相似度:57.1%
Journal of Agricultural and Food Chemistry          2010          58          9476-9482
New Class of Algicidal Compounds and Fungicidal Activities Derived from a Chromene Amide of Amyris texana
Kumudini M. Meepagala, Kevin K. Schrader, Charles L. Burandt, David E. Wedge and Stephen O. Duke
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

66 .     (-)-(5R)-5-Benzyloxy1,3,3-trimethylcyclohexene
    相似度:57.1%
Journal of the Brazilian Chemical Society          2009          20          888-894
Total Synthesis of (3S, 5R, 3’S, 5’R)-Capsorubin
Daniel Frederico, Mauricio G. Constantino and Paulo M. Donate
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

67 .     Methyl 2-(6-fluoro-3-phenylisoquinolin-1-ylamino)acetate
C18H15FN2O2     相似度:57.1%
Tetrahedron          2012          68          6843-6848
Facile synthesis of 1-aminoisoquinolines via the tandem reactions of 2-alkynylbenzaldoximes with isothiocyanates
Wenhai Li, Yue Wang, Tao Lu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

68 .     2-[2'-(phenyldimethylsilyl)cyclohexyl] acetic acid methyl ester
    相似度:57.1%
Tetrahedron          2012          68          7701-7718
On the stereochemical course of the addition of allylsilanes to aldehydes
Scott E. Denmark, Eric J. Weber, Neil G. Almstead, Larry M. Wolf
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

69 .     Phenethyl-3-(3,4-dihydroxyphenyl)propanoate
C17H18O4     相似度:57.1%
Molecules          2012          17          14637-14650
Synthesis and Antiradical/Antioxidant Activities of Caffeic Acid Phenethyl Ester and Its Related Propionic, Acetic, and Benzoic Acid Analoguesc
Luc M. LeBlanc, Aurélie F. Paré, Jacques Jean-François, Martin J. G. Hébert, Marc E. Surette and Mohamed Touaibia
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

70 .     bis{4-[(N,N-dimethylamino)ethyl]phenyl} (acetylthiomethyl)phosphine tris(borane)
    相似度:57.1%
Bioorganic & Medicinal Chemistry          2013          23          3465-3472
Traceless Staudinger acetylation of azides in aqueous buffers
Sylwia, Sowa, Michaela, Mühlberg, K., Michal, Pietrusiewicz, Christian, P.R., Hackenberger
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

71 .     5(Z)-3-Benzyl-5-(2-hydroxybenzylidene)furan-2(5H)-one
C18H14O3     相似度:56.2%
Molecules          2007          12          1101-1116
Synthesis and Cytotoxic Activity of Some 3-Benzyl-5-Arylidenefuran-2(5H)-ones
Róbson R. Teixeira, Luiz C. Barbosa, Célia R. Maltha, Marcelo E. Rocha, Daniel P. Bezerra, Letícia V. Costa-Lotuf, Cláudia Pessoa and Manoel O. Moraes
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

72 .     Methyl 3-(2-carboxylphenylamino)-2-methylene-3-phenyl propanoate
C18H17NO4     相似度:56.2%
Canadian Journal of Chemistry          2009          87          1682-1691
Chemo- and regio-selective functionalization of Morita-Baylis-Hillman bromides with anthranilic acid
Yusuf Zulykama, Ulagamani Uma, Palanisamy Chitra Devi, and Paramasivan T. Perumal
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

73 .     S-1-[2-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]pentyl ethanethioate
C16H19OF3S     相似度:56.2%
Heterocycles          2009          77          1285-1296
Synthesis of Isochromanes and Isothiochromanes Bearing Fluorinated One-Carbon Units via Intramolecular Cyclizations of ortho-Substituted α-(Trifluoromethyl)styrenes
Junji Ichikawa, Masahiro Ikeda, and Masahiro Hattori
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

74 .     2(S)-N-[2-(N-benzylamino)benzoyl]glutamic acid
C19H20N2O2     相似度:56.2%
Heterocycles          2003          60          2023-2044
Approach to the Synthesis of (+)-Ifforestine. Model Studies Directed at the Tetracyclic Framework
Gregory H. P. Roos* and Kim A. Dastlik
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

75 .     (2S)-Methyl 2-{4-[2-((2S)-2-hydroxy-2-phenyleth-ylamino)ethyl]phenoxy}propanoate
C20H25NO4     相似度:56.2%
Bioorganic & Medicinal Chemistry          2008          16          2473-2488
Stereospecific synthesis and bio-activity of novel β3-adrenoceptor agonists and inverse agonists
Maria Grazia Perrone, Ernesto Santandrea, Laura Bleve, Paola Vitale, Nicola Antonio Colabufo, Ralf Jockers, Ferdinando Maria Milazzo, Anna Floriana Sciarroni, Antonio Scilimati
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

76 .     Carbonic Acid (1S)-1-{2-[4-(Benzyloxy)phenyl]ethyl}but-3-en-1-yl tert-Butyl Ester
    相似度:56.2%
Helvetica Chimica Acta          2010          93          1960-1966
Stereoselective Total Synthesis of Dodoneine
Baggu Chinnababu, Sudina Purushotham Reddy, Chitturi Bhujanga Rao, Karuturi Rajesh and Yenamandra Venkateswarlu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

77 .     (4S,6S)-4-{2-[4-(Benzyloxy)phenyl]ethyl}-6-(iodomethyl)-1,3-dioxan-2-one
C20H21IO4     相似度:56.2%
Helvetica Chimica Acta          2010          93          1960-1966
Stereoselective Total Synthesis of Dodoneine
Baggu Chinnababu, Sudina Purushotham Reddy, Chitturi Bhujanga Rao, Karuturi Rajesh and Yenamandra Venkateswarlu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

78 .     2-[methyl-(3-phenylpropionyl)amino]-benzoic acid
C18H19NO3     相似度:56.2%
The Journal of Antibiotics          1998          51          333-340
Anthranilamides: New Antimicroalgal Active Substances from a Marine Streptomyces sp.
M. A. FAROOQ BIABANI, MATTHIAS BAAKE, BARBARA LOVISETTO, HARTMUT LAATSCH, ELISABETH HELMKE, HORST WEYLAND
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

79 .     acid-phenolic
    相似度:53.8%
Journal of Natural Products          1998          61          1209-1211
Growth-Inhibitory Activities of Benzofuran and Chromene Derivatives toward Tenebrio molitor
Roberto Carrizo F., Marta E. Sosa, Laura S. Favier, Fabricio Penna, Eduardo Guerreiro, Oscar S. Giordano, and Carlos E. Tonn
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

80 .     honokiol
    相似度:53.8%
Chemical & Pharmaceutical Bulletin          1994          42          112-114
A New Triphenyl-Type Neolignan and a Biphenylneolignan from the Bark of Illicium simonsii
Isao KOUNO,Chifumi IWAMOTO,Yuki KAMEDA,Takashi TANAKA and Chun-Shu YANG
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

81 .     1-Methyl-5-(4-trifluoromethylphenyl)-3-phenyl-1H-1,2,4-triazole
C16H12F3N3     相似度:53.8%
Molecules          2001          6          969-978
Regioselectivity in the Thermal Rearrangement of Unsymmetrical 4-Methyl-4H-1, 2, 4-triazoles to 1-Methyl-1H-1, 2, 4-triazoles
Odd R. Gautun and Per H. Carlsen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

82 .     4-(2-Bromobenzyl)phenol
    相似度:53.8%
Molecules          2002          7          18-25
Synthesis of Precursors for the Oxidative Tandem Cyclization of Diphenols to Galanthamine Analogs
Matthias Treu and Ulrich Jordis
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

83 .     1-(Benzylamino)-3-phenoxypropan-2-ol
C16H19NO2     相似度:53.8%
Molecules          2007          12          2515-2532
Comparative Study of Regioselective Synthesis of β-Aminoalcohols under Solventless Conditions Catalyzed by Sulfated Zirconia and SZ/MCM-41
Guillermo Negrón-Silva, C. X. Hernández-Reyes, Deyanira Angeles-Beltrán, Leticia Lomas-Romero, Eduardo González-Zamora and Juan Méndez-Vivar
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

84 .     1-(Benzylamino)-3-(4-methoxyphenoxy)propan-2-ol
C12H21NO3     相似度:53.8%
Molecules          2007          12          2515-2532
Comparative Study of Regioselective Synthesis of β-Aminoalcohols under Solventless Conditions Catalyzed by Sulfated Zirconia and SZ/MCM-41
Guillermo Negrón-Silva, C. X. Hernández-Reyes, Deyanira Angeles-Beltrán, Leticia Lomas-Romero, Eduardo González-Zamora and Juan Méndez-Vivar
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

85 .     Methyl 1-benzyltriazole-4-carboxylate
C11H11N3O2     相似度:53.8%
Molecules          2009          14          528-539
“Flash” Solvent-free Synthesis of Triazoles Using a Supported Catalyst
Ibtissem Jlalia, Faouzi Meganem, Jean Herscovici and Christian Girard
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

86 .     compound 4
    相似度:53.8%
Natural Product Research          2007          21          749-758
Lower homologues (methyl, ethyl) of diorganotin derivatives of germyl (substituted) propanoic acids: spectroscopic elucidations and biological studies
M. Mazhar; S. Ali; Khalid M. Khan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

87 .     methyl 2-hydroxymethyl-3-methyl-6-phenyl-3Z,5E-hexadienoate
C15H18O3     相似度:53.8%
Natural Product Research          2008          22          1535-1539
Bolineol, a novel co-metabolite of strobilurins A, F and G from Bolinea lutea
Colin T. Bedford; David Perry; Rajnesh K. Sharma
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

88 .     compound 6
    相似度:53.8%
Phytochemistry          1998          47          1117-1123
Stilbenes, monoterpenes, diarylheptanoids, labdanes and chalcones from Alpinia katsumadai
Koon-Sin Ngo, Geoffrey D. Brown
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

89 .     (+)-nyasol
C17H16O2     相似度:53.8%
Phytochemistry          1996          43          1413-1415
(+)-Nyasol from Asparagus cochinchinensis
Win-Yan Tsui, Geoffrey D. Brown
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

90 .     Isohexyl dihydro-p-coumarate
    相似度:53.8%
Phytochemistry          1994          37          1101-1107
Sesquiterpene lactones, lignans and aromatic esters from Cheirolophus species
J.Alberto Marco, Juan F. Sanz-Cervera, Vicente Garcia-Lliso, Alfonso Susanna, Nuria Garcia-Jacas
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

91 .     (S)-N-Benzyl-1-phenylprop-2-en-1-amine
C16H18N     相似度:53.8%
Chemical & Pharmaceutical Bulletin          2011          59(6)          714-720
Regio- and Enantioselective Allylic Substitution with Less Active N- or O-Nucleophiles Catalyzed by Iridium-Complex of Bis(oxazolinyl)pyridine
Hideto MIYABE,Katsuhiko MORIYAMA,and Yoshiji TAKEMOTO
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

92 .     6-Hydroxyimino-8,9-dihydro-5H-benzocyclohepten-7-one
    相似度:53.8%
Bioorganic & Medicinal Chemistry          2011          19          1434-1449
Amino-benzosuberone: A novel warhead for selective inhibition of human aminopeptidase-N/CD13
Sébastien Albrecht, Mira Al-Lakkis-Wehbe, Alban Orsini, Albert Defoin, Patrick Pale,Emmanuel Salomon, Céline Tarnus, Jean-Marc Weibel
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

93 .     9-Butyl-1,8-dichloro-9-anthracene
C18H16Cl2     相似度:53.8%
Organic Letters          2009          Vol.11,No.2          321-324
Stereogenic Motif Consisting of Rigid Ring and Intraannular Chains: Isolation and Structures of Stereoisomers of 9-Alkyl-1,8-anthrylene-Butadiynylene Cyclic Dimers1
Shinji Toyota, Hiroyuki Onishi, Yoshihiro Kawai, Takaaki Morimoto,Hiroaki Miyahara, Tetsuo Iwanaga, and Kan Wakamatsu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

94 .     4-Phenyl-2H-chromen-2-one
C15H10O2     相似度:53.8%
Molecules          2011          16          6313-6321
A Facile Synthesis of Highly Functionalized 4-Arylcoumarins via Kostanecki Reactions Mediated by DBU
In-Taek Hwang, Sun-Ah Lee, Jin-Soo Hwang and Kee-In Lee
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

95 .     [Ag{BITOMe,StBu}X](X = PF6-)
C43H47N5SOAgPF6     相似度:53.8%
Molecules          2011          16          6701-6720
Group 11 Metal Compounds with Tripodal Bis(imidazole)Thioether Ligands. Applications as Catalysts in the Oxidation of Alkenes and as Antimicrobial Agents
Fangwei Liu, Reema Anis, Eunmi Hwang, Rafael Ovalle, Armando Varela-Ramírez, Renato J. Aguilera and María Contel
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

96 .     1-(2-[2H4]-chlorophenyl-d4)-7-oxabicyclo[4.1.0]heptane
    相似度:53.8%
Bioorganic & Medicinal Chemistry Letters          2011          21          5719-5721
Synthesis of deuterium labeled ketamine metabolite dehydronorketamine-d4
Rohidas S. Sulake, Chinpiao Chen, Huei-Ru Lin, Ahai-Chang Lua
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

97 .     Methyl (9-chloro-2-oxo-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl)acetate
C13H14NO3Cl     相似度:53.8%
The Journal of Organic Chemistry          2011          76          5123-5131
Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams
Hidetsugu Tabata, Naoya Wada, Yuko Takada, Tetsuta Oshitari, Hideyo Takahashi, and Hideaki Natsugari
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

98 .     agatharesinol
    相似度:53.8%
Phytochemistry          1989          28          1675-1679
Diterpenoids of the wood of Agathis vitiensis
Richard C. Cambie,Jan M. Coddington,Martin J. Stone,Nobutoshi Tanaka,Yong Hua Li,Sayuti Arigayo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

99 .     compound 3b
C19H24SSi     相似度:53.8%
Organic letters          2000          2          1303-1305
Iron-Catalyzed Doyle−Kirmse Reaction of Allyl Sulfides with (Trimethylsilyl)diazomethane
David S. Carter and David L. Van Vranken
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

100 .     compound 5
C13H10NOCl     相似度:53.8%
Journal of Heterocyclic Chemistry          2009          46          988-992
Reinvestigation of alternative method for the preparation of dibenz[b,f][1,4]oxazepine
Hossein Fakhraian and Yaser Nafary
Structure      13C NMR   碳谱模拟图
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