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【答案】应助回帖
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感谢参与，应助指数 +1
heroqe521: 金币+10 2014-11-29 17:48:14
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
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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916个化合物(查询结果仅供参考)
1 . 3-morpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylic acid
C19H14N2O4 相似度:64.7%
Bioorganic & Medicinal Chemistry 2009 17 7615-7621
Novel acenaphtho[1,2-b]pyrrole-carboxylic acid family: Synthesis, cytotoxicity, DNA-binding and cell cycle evaluation
Lijuan Xie, Yi Xiao, Fang Wang, Yufang Xu, Xuhong Qian, Rong Zhang, Jingnan Cui, Jianwen Liu
Structure 13C NMR 碳谱模拟图
2 . 5-acetyl-3-bromo-5,6,11,12-tetrahydrodibenz[b,f]azocine
C17H16BrNO 相似度:64.7%
Chemical & Pharmaceutical Bulletin 2014 62 350-353
Synthesis of 1-(4-Aminobutyl)-2-iminoimidazolidin-4-one Aimed at Preparation of a Creatinine-Specific Antibody
Shun-suke Moriya, Naoki Terayama, Kyoko Hiramatsu, Masao Kawakita, Tatsuya Kiryu, Takato Kawanishi, Eiko Yasui, Shinji Nagumo
Structure 13C NMR 碳谱模拟图
3 . Berkedienolactone
C11H14O2 相似度:62.5%
Journal of Natural Products 2012 75 344−350
Caspase-1 Inhibitors from an Extremophilic Fungus That Target Specific Leukemia Cell Lines
Andrea A. Stierle, Donald B. Stierle, and Teri Girtsman
Structure 13C NMR 碳谱模拟图
4 . 2-[(Z)-4-methoxy-benzoylimino]-4-oxo-3-phenyl-3,4-dihydro]-2H-[1,3]thiazine-6-carboxylic acid methyl ester
C20H16N2O5S 相似度:62.5%
Journal of Heterocyclic Chemistry 2007 44 1431-1438
Structure 13C NMR 碳谱模拟图
5 . 1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)ethanone
相似度:62.5%
Heterocycles 2010 81 689-698
The First Cerium (IV) Ammonium Nitrate (CAN)-Catalyzed Friedländer Synthesis of Quinolines in Ionic Liquid
Rei-Sheu Hou, Huey-Min Wang, Iou-Jiun Kang, Hau-Dung Du, and Ling-Ching Chen
Structure 13C NMR 碳谱模拟图
6 . 1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)ethanone
相似度:62.5%
Heterocycles 2009 78 487-493
An Efficient Protocol for the Friediänder Synthesis of Quinolines Using the Lewis Acidic Ionic Liquid Choline Chloride·2ZNCL2
Huey-Min Wang, Rei-Sheu Hou, Hui-Ting Cheng, and Ling-Ching Chen
Structure 13C NMR 碳谱模拟图
7 . 1-(6-chloro-2-methyl-4-phenylquinoline-3-yl)ethanone
相似度:62.5%
Journal of Heterocyclic Chemistry 2011 48 1192-1196
Friedlnder synthesis of poly-substituted quinolines in the presence of triethylammonium hydrogen sulfate [Et3NH][HSO4] as a highly efficient, and cost effective acidic ionic liquid catalyst
Esmat Tavakolinejad Kermani, Hojatollah Khabazzadeh and Tayebeh Jazinizadeh
Structure 13C NMR 碳谱模拟图
8 . 5-dimethylamino-pentanoic acid {4-[3-(4-bromo-benzoyl)-thioureido]-phenyl}-amide hydrochloride
C21H25N4O2SBr 相似度:62.5%
Bioorganic & Medicinal Chemistry 2012 20 1779-1793
Synthesis and biological characterisation of sirtuin inhibitors based on the tenovins
Anna R. McCarthy, Lisa Pirrie, Jonathan J. Hollick, Sebastien Ronseaux, Johanna Campbell, Maureen Higgins, Oliver D. Staples, Fanny Tran, Alexandra M.Z. Slawin, Sonia Lain, Nicholas J. Westwood
Structure 13C NMR 碳谱模拟图
9 . 3-(4-chlorophenyl)-2-cyclohexylimino-2,3-dihydro-5,6-dimethyl-imidazo[2,1-b][1,3,4]thiadiazole
C18H21ClN4S 相似度:62.5%
Tetrahedron 2013 69 5008-5015
Azodicarboxylates: valuable reagents for the multicomponent synthesis of novel 1,3,4-thiadiazoles and imidazo[2,1-b][1,3,4]thiadiazoles
Tryfon Zarganes-Tzitzikas, Constantinos G. Neoc
Structure 13C NMR 碳谱模拟图
10 . [diphenyl(thiophen-2-yl)phosphonio](methoxycarbonyl)(phenyliodonio)methanide tetrafluoroborate
C25H21BF4IO2PS 相似度:62.5%
Tetrahedron 2013 69 7395-7402
Annelated P-containing heterocycles from aryl- and hetaryl-substituted phosphonium iodonium ylides with a methoxycarbonyl-group Original Research Article
Elena D. Matveeva, Tatyana A. Podrugina, Marina A. Taranova, Ekaterina Yu. Melikhova, Rolf Gleiter, Nikolay S. Zefirov
Structure 13C NMR 碳谱模拟图
11 . compound 2c
C16H11ClO3S 相似度:62.5%
Journal of Heterocyclic Chemistry 2013 50 E200-E203
Regioselective Photocyclization Reactions of 3-Allyloxy-6-chloro-2-(thiophen-3-yl)-4H-chromen-4-one: Solvent Effect
Ramesh C. Kamboj, Dinesh Kumar, Rita Arora, Surinder Berar and Geeta Sharma
Structure 13C NMR 碳谱模拟图
12 . 2-(2,4-Dichlorophenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide
C15H12Cl2N2O 相似度:62.5%
Tetrahedron 2013 69 10438-10444
Visible light-mediated synthesis of quinazolines from 1,2-dihydroquinazoline 3-oxides Original Research Article
Yi-Chou Chen, Ding-Yah Yang
Structure 13C NMR 碳谱模拟图
13 . phenyl(2-(thiophen-3-yl)-1H-benzo[d]imidazol-1-yl) methanone
C18H12N2OS 相似度:62.5%
Tetrahedron 2014 70 5391-5397
Metal-free cross-dehydrogenative coupling of benzimidazoles with aldehydes to N-acylbenzimidazoles
Lin Yu, Min Wang, Lei Wang
Structure 13C NMR 碳谱模拟图
14 . 3-piperidin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylic acid
C20H16N2O3 相似度:61.1%
Bioorganic & Medicinal Chemistry 2009 17 7615-7621
Novel acenaphtho[1,2-b]pyrrole-carboxylic acid family: Synthesis, cytotoxicity, DNA-binding and cell cycle evaluation
Lijuan Xie, Yi Xiao, Fang Wang, Yufang Xu, Xuhong Qian, Rong Zhang, Jingnan Cui, Jianwen Liu
Structure 13C NMR 碳谱模拟图
15 . 5-acetyl-3-bromo-5,6,11,12-tetrahydro-9-methyl-thiodibenz[b,f]azocine
C18H18BrNOS 相似度:61.1%
Chemical & Pharmaceutical Bulletin 2014 62 350-353
Synthesis of 1-(4-Aminobutyl)-2-iminoimidazolidin-4-one Aimed at Preparation of a Creatinine-Specific Antibody
Shun-suke Moriya, Naoki Terayama, Kyoko Hiramatsu, Masao Kawakita, Tatsuya Kiryu, Takato Kawanishi, Eiko Yasui, Shinji Nagumo
Structure 13C NMR 碳谱模拟图
16 . N-Phthalimidomethyl-3-(1-oxo-1,3-dihydro-1H-isoindol-2-yl)-2,6-dioxopiperidine
C22H17N3O5 相似度:61.1%
Bioorganic & Medicinal Chemistry 2011 19 3965-3972
Design, synthesis and biological assessment of novel N-substituted 3-(phthalimidin-2-yl)-2,6-dioxopiperidines and 3-substituted 2,6-dioxopiperidines for TNF-α inhibitory activity
Weiming Luo, Qian-sheng Yu, Isidro Salcedo, Harold W. Holloway, Debomoy K. Lahiri, Arnold Brossi, David Tweedie, Nigel H. Greig
Structure 13C NMR 碳谱模拟图
17 . N-Dithiophthalimidomethyl-3-(1-oxo-1,3-dihydro-1H-isoindol-2-yl)-2,6-dioxopiperidine
C22H17N3O3S2 相似度:61.1%
Bioorganic & Medicinal Chemistry 2011 19 3965-3972
Design, synthesis and biological assessment of novel N-substituted 3-(phthalimidin-2-yl)-2,6-dioxopiperidines and 3-substituted 2,6-dioxopiperidines for TNF-α inhibitory activity
Weiming Luo, Qian-sheng Yu, Isidro Salcedo, Harold W. Holloway, Debomoy K. Lahiri, Arnold Brossi, David Tweedie, Nigel H. Greig
Structure 13C NMR 碳谱模拟图
18 . 4-(3-acetylamino-azulen-1-yl)-2,6-diphenyl-pyranylium perchlorate
C29H22O6NCl 相似度:58.8%
Journal of Heterocyclic Chemistry 2006 43 963-977
Azulene-substituted pyranylium salts. Syntheses and products characterization
Alexandru C. Razus,Liviu Birzan,Claudia Pavel,Oana Lehadus,Andreea Cristina Corbu and Cristian Enache
Structure 13C NMR 碳谱模拟图
19 . 2'-benzyl-5-methylidene-4,5-dihydrospiro[furan-1',3-isoindol-3'-one]-2-one
C19H14INO3 相似度:58.8%
Heterocycles 2008 75 1971-1981
Halolactonization of γ-Acetylenic Acids: Synthesis of Novel Spiroisoindole Halobutyrolactones
Mohamed M. Rammah, Mohamed Othman, Moncef Msaddek, and Mohamed B. Rammah
Structure 13C NMR 碳谱模拟图
20 . 2-{1-[(2-Amino-3-pyridinyl)imino]propyl}-3-methyl-1H-indole
C17H18N4 相似度:58.8%
Tetrahedron 2012 68 4202-4209
One-pot efficient synthesis of novel fused pentacyclic indolopyridobenzimidazoles and pyridoimidazopyridoindoles from the reaction of pyranoindolones with 1,2-diaminobenzenes and 2,3-diaminopyridines
Despina Livadiotou, Anna Maria Fadel, Constantinos A. Tsoleridis, Julia Stephanidou-Stephanatou
Structure 13C NMR 碳谱模拟图
21 . methyl 3-isopropyl-8-nitrophenanthrene-9-carboxylate
C19H17NO4 相似度:58.8%
European Journal of Organic Chemistry 2011 4616-4622
A Fully Palladium-Mediated Construction of Phenanthrenes and Naphthoxindoles
Luma Nassar-Hardy, Christophe Deraedt, Eric Fouquet and François-Xavier Felpin
Structure 13C NMR 碳谱模拟图
22 . 3-[4,4-difluoro-5-(4-methoxyphenyl)-4-bora-3a,4a-diaza-s-indacene-3-yl]propionic acid
C19H17BF2N2O3 相似度:58.8%
European Journal of Organic Chemistry 2010 3611-3620
Synthesis of 3′-BODIPY-Labeled Active Esters of Nucleotides and a Chemical Primer Extension Assay on Beads
Kerstin Gießler, Helmut Griesser, Daniela Göhringer, Thomas Sabirov and Clemens Richert
Structure 13C NMR 碳谱模拟图
23 . (R)-diethyl 2-hydroxy-2-[1,2,3,4-tetrahydro-1-oxonaphthalen-2-yl]malonate
相似度:58.8%
Heterocycles 2012 86 669-677
ENANTIOSELECTIVE MUKAIYAMA-ALDOL REACTION BETWEEN ENOL SILANES AND KETOMALONATE CATALYZED BY THE COPPER(II) COMPLEX OF TIPS-SUBSTITUTED BIS-OXAZOLINE
Giovanni Desimoni,* Giuseppe Faita, Alessandro Livieri, and Laura Ponta
Structure 13C NMR 碳谱模拟图
24 . 14-(4-methylphenyl)-14H-dibenzo[a,j]xanthene-3,11-dicarboxylic acid
C30H20O5 相似度:58.8%
Chemical & Pharmaceutical Bulletin 2013 69 167-175
Design, Synthesis and Anticancer Activity of N3,N11-Bis(2-hydroxyethyl)-14-aryl-14H-dibenzo[a,j]xanthenes-3,11-dicarboxamide
Yongbin Song, Yihui Yang, Jun You, Bo Liu, Lijun Wu, Yunlong Hou, Wenji Wang, Jiuxin Zhu
Structure 13C NMR 碳谱模拟图
25 . 5-acetyl-8-bromo-5,6,11,12-tetrahydrodibenz[b,f]azocine
C17H16BrNO 相似度:58.8%
Chemical & Pharmaceutical Bulletin 2014 62 350-353
Synthesis of 1-(4-Aminobutyl)-2-iminoimidazolidin-4-one Aimed at Preparation of a Creatinine-Specific Antibody
Shun-suke Moriya, Naoki Terayama, Kyoko Hiramatsu, Masao Kawakita, Tatsuya Kiryu, Takato Kawanishi, Eiko Yasui, Shinji Nagumo
Structure 13C NMR 碳谱模拟图
26 . Methyl 5,6-dichloro-2-(2-chlorobenzyl)-1H-benzimidazol-1-acetate
C17H13Cl3N2O2 相似度:58.8%
Monatshefte für Chemie 2013 144 993-1001
An efficient synthesis of benzimidazoles via a microwave technique and evaluation of their biological activities
Bahittin Kahveci, Emre Menteşe, Musa Özil, Serdar ülker, Murat Ertürk
Structure 13C NMR 碳谱模拟图
27 . 5-(3-(6-cyclohexyloxypyrazin-2-yl) benzylidene)-thiazolidine-2,4-dione
相似度:58.8%
Chemical & Pharmaceutical Bulletin 2014 62 906-914
Synthesis and Evaluation of 5-(3-(Pyrazin-2-yl)benzylidene)thiazolidine-2,4-dione Derivatives as Pan–Pim Kinases Inhibitors
Jinho Lee, Jongseong Park, Victor Sukbong Hong
Structure 13C NMR 碳谱模拟图
28 . 3-(4-methyl-piperazin)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxylic acid
C20H17N3O3 相似度:57.8%
Bioorganic & Medicinal Chemistry 2009 17 7615-7621
Novel acenaphtho[1,2-b]pyrrole-carboxylic acid family: Synthesis, cytotoxicity, DNA-binding and cell cycle evaluation
Lijuan Xie, Yi Xiao, Fang Wang, Yufang Xu, Xuhong Qian, Rong Zhang, Jingnan Cui, Jianwen Liu
Structure 13C NMR 碳谱模拟图
29 . (t-BuNH)P(μ-N-t-Bu)2P(O)N[–o–C6H4–C(H)C(ph)–C(O)–O–]
C27H38N4O3P2 相似度:57.8%
Tetrahedron 2014 70 2643-2653
Unusual nitrogen based heterocycles via allenic intermediates from the reaction of propargyl alcohols with P(III) substrates Original Research Article
G. Gangadhararao, K.C. Kumara Swamy
Structure 13C NMR 碳谱模拟图 |
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