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溶剂DMSO 24.63,27.32,56.39,67.73,70.10,112.93,117.15,122.99,128.05,143.11,155.60 |
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xf890529: 金币+20, ★★★★★最佳答案, 谢谢 2014-11-10 11:26:36
感谢参与，应助指数 +1
xf890529: 金币+20, ★★★★★最佳答案, 谢谢 2014-11-10 11:26:36
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查询结果：共查到665个化合物(查询结果仅供参考) 1 . 1,4-bis(3-(5-fluoro-1H-3-indolyl)propyl)piperazine C26H30F2N4 相似度:66.6% Bioorganic & Medicinal Chemistry 2013 21 7604-7611 Synthesis, docking and pharmacological evaluation of novel homo- and hetero-bis 3-piperazinylpropylindole derivatives at SERT and 5-HT1A receptor Hernán Pessoa-Mahana, Christian González-Lira, Angélica Fierro, Gerald Zapata-Torres, C. David Pessoa-Mahana, Javiera Ortiz-Severin, Patricio Iturriaga-Vásquez, Miguel Reyes-Parada, Paul Silva-Matus, Claudio Saitz-Barría, Ramiro Araya-Maturana Structure 13C NMR 碳谱模拟图 2 . 5-(1-Cyclohexyl-5-methyl-3-oxido-1H-imidazol-4-yl)-2,4-dihydro-4-methyl-3H-1,2,4-triazole-3-thione C13H19N5OS 相似度:63.6% Helvetica Chimica Acta 2012 95 404-414 Synthesis of Bis-Heterocyclic 1H-Imidazole 3-Oxides from 3-Oxido-1H-imidazole-4-carbohydrazides Adam Marek Pieczonka,Grzegorz Mloston Structure 13C NMR 碳谱模拟图 3 . 6-amino-4-chloro-5-cyano-2-(tetrahydro-2H-pyran-2-yl)-7H-pyrrolo[2,3-c]pyridazin-3(2H)-one C12H12N5O2Cl 相似度:63.6% Journal of Heterocyclic Chemistry 2000 37 5-10 Synthesis of Novel Acyclonucleosides Containing Pyridazine Jung-Won Park, Deok-Heon Kweon, Young-Jin Kang, Woo Song Lee, Su-Dong Cho and Yong-Jin Yoon Structure 13C NMR 碳谱模拟图 4 . (6-bromo-3-hydroxy-2-oxo-2,3-dihydroindol-3-yl)acetonitrile C10H7N2O2Br 相似度:63.6% 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 5 . 2-(N-Cyclohexyl)amino-7-nitrobenzothiazole 相似度:63.6% Tetrahedron Letters 2004 45 9373-9375 Synthesis of 2-N-alkyl(aryl)amino-7-nitrobenzothiazoles Shenlin Huang, Peter J. Connolly Structure 13C NMR 碳谱模拟图 6 . 7-Hydroxy-3-methyl-8-(4-chlorophenyl)-2-thioxanthine C12H9ClN4O2S 相似度:63.6% Zeitschrift für Naturforschung B 2008 63 860-864 One-pot Synthesis of Fused 2-Thiouracils: Pyrimidopyrimidines, Pyridopyrimidines and Imidazolopyrimidines S. Youssif and F. Agili Structure 13C NMR 碳谱模拟图 7 . 4-(4-Isopropyl-5-methyloxazol-2-yl)benzonitrile C13H14N2O 相似度:63.6% European Journal of Organic Chemistry 2012 630-636 Microwave-Assisted Cerium(III)-Promoted Cyclization of Propargyl Amides to Polysubstituted Oxazole Derivatives Giuseppe Bartoli, Cristina Cimarelli, Roberto Cipolletti, Simone Diomedi, Riccardo Giovannini, Margherita Mari, Laura Marsili and Enrico Marcantoni Structure 13C NMR 碳谱模拟图 8 . 4-cyano-N-(4-methoxyphenyl)benzenesulfonamide C14H12N2O3S 相似度:63.6% Journal of Heterocyclic Chemistry 2011 48 407-413 Biaryl sulfonamides from O-acetyl amidoximes: 1,2,4-Oxadiazole cyclization under acidic conditions Stefan Dosa, Jörg Daniels and Michael Gütschow Structure 13C NMR 碳谱模拟图 9 . 1-(2-furoyl)-2,2-dimethyl-2-(2-propen-1-yl)-2-hydrazinium bromide C10H15BrN2O2 相似度:63.6% Russian Journal of Organic Chemistry 2003 39 1561-1564 Reactions of 1-[Benzoyl(2-hetaroyl)]-2,2-dimethyhydrazines with 1,3-Dibromopropyne, 2-Propynyl Bromide, and Allyl Bromide A. S. Nakhmanovich, R. V. Karnaukhova, L. I. Larina, P. E. Ushakov and V. A. Lopyrev Structure 13C NMR 碳谱模拟图 10 . compound 29 相似度:63.6% Journal of Medicinal Chemistry 1991 34 2892-2898 Synthesis and adenosine receptor affinity of a series of pyrazolo[3,4-d]pyrimidine analogs of 1-methylisoguanosine Fiona A. Harden, Ronald J. Quinn, Peter J. Scammells Structure 13C NMR 碳谱模拟图 11 . 5,5'-((hexane-1,6-diylbis(oxy))bis(4,1-phenylene))bis(5-methylimidazolidine-2,4-dione) C26H30N4O6 相似度:63.6% Journal of Heterocyclic Chemistry 2013 50 288-292 One-Pot Synthesis and Characterization of Some New Types of 5,5′-Disubstituted Bis(imidazolidine-2,4-diones) Ziba Khodaee, Asieh Yahyazadeh and Nosrat O. Mahmoodi Structure 13C NMR 碳谱模拟图 12 . 1-methyl-5-(morpholinosulfonyl)-1H-indole-2,3-dione C13H14N2O5S 相似度:63.6% Bioorganic & Medicinal Chemistry 2014 22 292-302 Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors Wei Liu, He-Min Zhu, Guo-Jun Niu, En-Zhi Shi, Jie Chen, Bo Sun, Wei-Qiang Chen, Hong-Gang Zhou, Cheng Yang Structure 13C NMR 碳谱模拟图 13 . compound 10a C13H14Cl2N2OS 相似度:63.6% Bioorganic & Medicinal Chemistry Letters 2012 22 1317-1321 Synthesis and biological evaluation of benzo[d]imidazole derivatives as potential anti-cancer agents Hamad M. Alkahtani, Abdullahi Y. Abbas, Shudong Wang Structure 13C NMR 碳谱模拟图 14 . tryptophan C11H12N2O2 相似度:63.6% Chinese Journal of Natural Medicines 2012 10 68-71 A new perylenequinone from a halotolerant fungus, Alternaria sp. M6 Song-Ya ZHANG, Zhan-Lin LI, Jiao BAI, Yu WANG, Li-Min ZHANG, Xin WU, Hui-Ming HUA Structure 13C NMR 碳谱模拟图 15 . 2-Amino-6-methoxy-4H-chromene-2-carbonitrile C11H10N2O2 相似度:63.6% Tetrahedron 2012 68 5612-5618 Convenient one-step synthesis of 4-unsubstituted 2-amino-4H-chromene-2-carbonitriles and 5-unsubstituted 5H-chromeno[2,3-b]pyridine-3-carbonitriles from quaternary ammonium salts Vitaly A. Osyanin, Dmitry V. Osipov, Yuri N. Klimochkin Structure 13C NMR 碳谱模拟图 16 . 8-Chloro-7-methoxy-2H-1,2,3-benzothiadiazine 1,1-dioxide C8H7ClN2O3S 相似度:63.6% Tetrahedron 2014 70 286-293 Synthesis of 4-unsubstituted 2H-1,2,3-benzothiadiazine 1,1-dioxides via ortho lithiation of protected benzaldehyde derivatives Márta Porcs-Makkay, Gyula Lukács, Angéla Pandur, Gyula Simig, Balázs Volk Structure 13C NMR 碳谱模拟图 17 . Compound 1 相似度:61.5% Bioorganic & Medicinal Chemistry Letters 2000 10 2463-2466 NMR Analysis of tautomerisms of active pinacidil-Type potassium channel openers and a less active one Kazuya Yoshiizumi, Fumio Nakajima, Takao Kiyoi, Hirosato Kondo Structure 13C NMR 碳谱模拟图 18 . 1,5-bis{4-[5-nitro-1H-benzimidazole-2-yl] phenoxy}pentane C31H26N6O6 相似度:61.5% Bioorganic & Medicinal Chemistry Letters 2008 18 3147-3151 Design, synthesis and in vitro antiprotozoal activity of benzimidazole-pentamidine hybrids Héctor Torres-Gómez, Emanuel Hernández-Núñez, Ismael León-Rivera, Jorge Guerrero-Alvarez, Roberto Cedillo-Rivera, Rosa Moo-Puc, Rocío Argotte-Ramos, María del Carmen Rodríguez-Gutiérrez, Manuel Jesús Chan-Bacab, Gabriel Navarrete-Vázquez Structure 13C NMR 碳谱模拟图 19 . 5'-[(5,6-dibromo-1H-indol-3-yl)methyl]-3'-methylimidazolidine-2',4'-dione C13H11Br2N3O2 相似度:61.5% Tetrahedron 2012 68 6881-6886 Iodo–sesquiterpene hydroquinone and brominated indole alkaloids from the Thai sponge Smenospongia sp. Hunsa Prawat, Chulabhorn Mahidol, Wirongrong Kaweetripob, Sawangjitt Wittayalai, Somsak Ruchirawat Structure 13C NMR 碳谱模拟图 20 . N-(4-Chlorophenyl)-3-dimethylamino-4-methoxybenzamide C16H17ClN2O2 相似度:61.5% Molecules 2013 18 3630-3640 Synthesis and Antiviral Activity of N-Phenylbenzamide Derivatives, a Novel Class of Enterovirus 71 Inhibitors Xing-Yue Ji, Hui-Qiang Wang, Lan-Hu Hao, Wei-Ying He, Rong-Mei Gao, Yan-Ping Li, Yu-Huan Li, Jian-Dong Jiang and Zhuo-Rong Li Structure 13C NMR 碳谱模拟图 21 . (5E,13E)-7,8,9,10,11,12,21,22-Octahydro-7,12-dioxo-20H-dibenzo[f,r] [1,5,11,14]dioxadiazacyclononadecine-6,13-dicarbonitrile C25H22N4O4 相似度:61.5% Helvetica Chimica Acta 2013 96 1290-1297 An Efficient Synthesis of Novel Benzo-Fused Macrocyclic Dilactams Ahmed E. M. Mekky, Ahmed A. M. Ahmed and Ahmed H. M. Elwahy Structure 13C NMR 碳谱模拟图 22 . 2-methoxy-4-(2-hexyloxyethyl)phenol C15H24O3 相似度:60% Food Chemistry 2011 129 1169-1178 Preparation and antioxidant activity of tyrosyl and homovanillyl ethers A. Madrona, G. Pereira-Caro, L. Bravo, R. Mateos, J.L. Espartero Structure 13C NMR 碳谱模拟图 23 . diisopropyl 2-[2-(2-amino-6-chloropurin-9-yl)ethoxy]phenylphosphonate 相似度:60% European Journal of Organic Chemistry 2010 2885-2892 Synthesis and Properties of a Novel Type of Acyclic Nucleoside Phosphonates: 2-(Purin-9-yl)ethoxyphenylphosphonic Acids Dana Hocková, Martin Dračínsky and Antonín Holy Structure 13C NMR 碳谱模拟图 24 . 2-[[N-(N'-methylamino)carbonyl]-N-hydroxyamino]methyl]-6-phenoxy-1,4-benzodioxan C17H18N25 相似度:60% Journal of Medicinal Chemistry 1995 38 68-75 Derivatives of 2-[[N-(Aminocarbonyl)-N-hydroxyamino]methyl]-1,4-benzodioxan as Orally Active 5-Lipoxygenase Inhibitors Yoshitaka Satoh, Colleen Powers, Leticia M. Toledo, Timothy J. Kowalski, Paul A. Peters, Earl F. Kimble Structure 13C NMR 碳谱模拟图 25 . oleracein E C12H13O3N 相似度:58.3% Phytochemistry 2005 66 2595-2601 Alkaloids from Portulaca oleracea L. Lan Xiang, Dongming Xing, Wei Wang, Rufeng Wang, Yi Ding, Lijun Du Structure 13C NMR 碳谱模拟图 26 . compound 7 C12H13NO3 相似度:58.3% Chinese Chemical Letters 2007 18 651-652 First total synthesis of (±)-trolline Qiu Qin He, Chao Mei Liu , Ke Li Structure 13C NMR 碳谱模拟图 27 . compound 7 相似度:58.3% Chinese Chemical Letters 2007 18 651-652 First total synthesis of (±)-trolline Qiu Qin He, Chao Mei Liu , Ke Li Structure 13C NMR 碳谱模拟图 28 . 6-aryl-3-(3-hydroxypropyl)-7H-1,2,4-triazolo[3,4-b][1,3,4] thiadiazine 2f C14H16N4O2S 相似度:58.3% Molecules 2007 12 297-303 Syntheses and Biological Activities of 6-Aryl-3-(3-hydroxy- propyl)-7H-1, 2, 4-triazolo[3, 4-b][1, 3, 4]thiadiazines Jian-yu Jin, Li-xue Zhang, Xian-xing Chen, An-jiang Zhang and Hai-le Zhang Structure 13C NMR 碳谱模拟图 29 . salsoline A 相似度:58.3% Acta Pharmaceutica Sinica 2007 Vol 42 618-620 A new alkaloid from Salsola collina XIANG Yu; LI You-bin; ZHANG Jian; LI Ping; YAO Yuan-zhang Structure 13C NMR 碳谱模拟图 30 . salsoline A C12H13NO3 相似度:58.3% Acta Pharmaceutica Sinica 2004 Vol 39 598-600 Studies on the alkaloids from Salsola collina Pall. ZHAO Yun-xue; DING Xing-bao Structure 13C NMR 碳谱模拟图 31 . 5,6-Dihydropurino[8,9-a]isoquinoline-9,11-diamine C13H12N6 相似度:58.3% Helvetica Chimica Acta 2011 94 785-800 The t-Amino Effect of ortho-Nitroso Amines. Synthesis of 2,6-Diaminoadenine Derivatives from 6-(Dialkylamino)-5-nitrosopyrimidines Maria del Carmen Ruiz Ruiz and Andrea Vasella Structure 13C NMR 碳谱模拟图 32 . Methyl 2-methoxy-5-pivaloyloxybenzoate 相似度:58.3% Zeitschrift für Naturforschung B 2004 59b 829-835 Hydroxy-Methoxybenzoic Methyl Esters: Synthesis and Antifeedant Activity on the Pine Weevil, Hylobius abietis Sacha Legrand, Göran Nordlander, Henrik Nordenhem, Anna-Karin Borg-Karlson, and C. Rikard Unelius Structure 13C NMR 碳谱模拟图 33 . (S)-Trolline C12H13NO3 相似度:58.3% Tetrahedron 2011 67 8648-8653 Stereoselective synthesis of tetrahydroisoquinoline alkaloids: (-)-trolline,(+)-crispin A, (+)-oleracein E Nobuyuki Kawai , Mika Matsuda, Jun’ichi Uenishi Structure 13C NMR 碳谱模拟图 34 . Diisopropyl 2-amino-6-chloro-9-[1-(phosphonobutoxy)methyl]-9H-purine 相似度:58.3% Bioorganic & Medicinal Chemistry 2012 20 1076-1089 Synthesis of 9-phosphonoalkyl and 9-phosphonoalkoxyalkyl purines:Evaluation of their ability to act as inhibitors of Plasmodium falciparum,Plasmodium vivax and human hypoxanthine–guanine–(xanthine)phosphoribosyltransferases Michal Česnek, Dana Hocková, Antonín Holy, Martin Dračínsky, Ondřej Baszczyňski, John de Jersey, Dianne T. Keough, Luke W. Guddat Structure 13C NMR 碳谱模拟图 35 . 3-(2-allyloxyphenyl)propanoic acid 相似度:58.3% Journal of Heterocyclic Chemistry 2008 45 435-443 Synthesis of 1,3-oxazole and benzimidazole pendant groups from polyacrylonitrile hydrolysis products Isabel N. Vega,Leonardo Sánchez and Norma D'Accorso Structure 13C NMR 碳谱模拟图 36 . 5-chloro-2-(3-methyl-1,2,3,4-tetrahydropyrimidin-5-yl)benzoxazole trihydroborane complex C12H15BClN3O 相似度:58.3% Journal of Heterocyclic Chemistry 2000 37 969-974 Convenient synthesis of 1,2,3,4-tetrahydro-pyrimidin-5-ylbenzoxazoles Myung Hee Jung, Sung-Won Choi and Kui-Woong Cho Structure 13C NMR 碳谱模拟图 37 . 5-chloro-N-(4-methoxyphenyl)benzo[d]oxazol-2-amine 相似度:58.3% Heterocycles 2010 81 2087-2096 An Efficient Synthesis of 2-Aminobenzoxazoles and 2-Aminobenzothiazoles from 2-Aminophenols or 2-Aminothiophenols and Isoselenocyanates Yuanyuan Xie, Fan Zhang, Xiaodong Chen, and Jianjun Li Structure 13C NMR 碳谱模拟图 38 . (–)-trolline 相似度:58.3% Heterocycles 2007 74 199-203 Synthesis of (-)-Trolline, (-)-Crispine A and (-)-Crispine E Takuya Kanemitsu, Yuki Yamashita, Kazuhiro Nagata, and Takashi Itoh Structure 13C NMR 碳谱模拟图 39 . trolline C12H13NO3 相似度:58.3% Heterocycles 2004 63 1443-1448 A Bioactive Alkaloid from the Flowers of Trollius chinensis Ru Feng Wang, Xiu Wei Yang, Chao Mei Ma, Shao Qing Cai,* Jian Nong Li, and Yukihiro Shoyama Structure 13C NMR 碳谱模拟图 40 . (10bS) 8,9-dihydroxy-1,5,6,10b-tetrahydro-2H-pyrrolo [2,1-a]isoquinolin-3-one 相似度:58.3% Journal of Shenyang Pharmaceutical University 2008 25 699-701 Chemical constituents of aerial parts of Asarum heterotropides Fr Schmidt. var. mandshuricum (Maxim.)Kitag. XU Lei, Lü Shuai, SUN Bo-hang, GAO Hui-yuan, WU Li-jun Structure 13C NMR 碳谱模拟图 41 . trollisine C12H13NO3 相似度:58.3% Journal of Shenyang Pharmaceutical University 2007 24 727-757 Chemical constituents from the Portulaca oleracea L. YAO Jia-qi, MENG Na, SONG Shao-jiang, DING Huai-wei Structure 13C NMR 碳谱模拟图 42 . 8-Bromo-4a-methyl-3,4,4a,5-tetrahydro-1H-pyridazino[6,1-b]quinazoline-2,10-dione C12H12N3O2Br 相似度:58.3% European Journal of Organic Chemistry 2012 1790-1799 New Linearly and Angularly Fused Quinazolinones: Synthesis through Gold(I)-Catalyzed Cascade Reactions and Anticancer Activities Nitin T. Patil, Pediredla G. V. V. Lakshmi, Balasubramanian Sridhar, Sujata Patra, Manika Pal Bhadra and Chitta Ranjan Patra Structure 13C NMR 碳谱模拟图 43 . 7,9-diamino-1'-(3'-(4''-nitro-phenoxy)-propyloxy)-6,8,1'-triaza-spiro[4.5]deca-6,8-diene C16H22N6O2 相似度:58.3% Bioorganic & Medicinal Chemistry 2010 18 737-743 Antifolate and antiproliferative activity of 6, 8, 10-triazaspiro[4.5]deca-6, 8-dienes and 1, 3, 5-triazaspiro[5.5]undeca-1, 3-dienes Xiang Ma, Wai-Keung Chui Structure 13C NMR 碳谱模拟图 44 . 2,4-diamino-5-(3'-(4''-nitrophenoxy)-propyloxy)-1,3,5-triazaspiro[5.5]undeca-1,3-diene hydrochloride C17H24N6O4 相似度:58.3% Bioorganic & Medicinal Chemistry 2010 18 737-743 Antifolate and antiproliferative activity of 6, 8, 10-triazaspiro[4.5]deca-6, 8-dienes and 1, 3, 5-triazaspiro[5.5]undeca-1, 3-dienes Xiang Ma, Wai-Keung Chui Structure 13C NMR 碳谱模拟图 45 . oleracin E C12H13NO3 相似度:58.3% Natural Product Research and Development 2009 21 430-432 Chemical Constituents from Meconopsis integrifolia WU Hai-feng;SHEN Jian-wei; SONG Zhi-jun; GE-SANG Suo-lang; ZHU Hua-jie; PENG Shu-lin; ZHANG Xiao-feng Structure 13C NMR 碳谱模拟图 46 . 8,9-dihydroxy-1,5,6,10b-tetrahydro-2H-pyrrolo[2,1-a]isoquinolin-3-one 相似度:58.3% Natural Product Research and Development 2007 19 811-813 Chemical Constituents of a Tibetan Medicine Meconopsis quintuplinervia Regel. WU Hai-feng;PAN Li; DING Li-sheng; ZHANG Xiao-feng Structure 13C NMR 碳谱模拟图 47 . 2-methoxy-4-(2-propyloxyethyl)phenol C12H18O3 相似度:58.3% Food Chemistry 2011 129 1169-1178 Preparation and antioxidant activity of tyrosyl and homovanillyl ethers A. Madrona, G. Pereira-Caro, L. Bravo, R. Mateos, J.L. Espartero Structure 13C NMR 碳谱模拟图 48 . 1-(2-cyano-4-methoxyphenyl)-3-phenyltriazene C14H12N4O 相似度:58.3% European Journal of Organic Chemistry 2010 6588-6599 Synthesis of Benzotriazine and Aryltriazene Derivatives Starting from 2-Azidobenzonitrile Derivatives Azadeh Nakhai, Birgitta Stensland, Per H. Svensson and Jan Bergman Structure 13C NMR 碳谱模拟图 49 . 2-(6-methoxy-1,4-dihydro-2H-3,1-benzothiazin-2-ylidene)-1,3-propanedinitrile C12H9N3OS 相似度:58.3% Heterocycles 2012 85 3007-3013 One-Pot Synthesis of 2-(1,4-Dihydro-2H-3,1-benzothiazin-2-ylidene)propanedioic Acid Derivatives by the Reaction of 2-(1-Bromoalkyl)phenyl Isothiocyanates with Propanedioic Acid Derivatives Using Sodium Hydride Kazuhiro Kobayashi* and Kosuke Ezaki Structure 13C NMR 碳谱模拟图 50 . 5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione 相似度:58.3% Natural Product Communications 2013 8 1127-1128 A New Macrolide from a Marine-derived Fungus Aspergillus sp. Jie Bao, Xin-Ya Xu, Xiao-Yong Zhang and Shu-Hua Qi Structure 13C NMR 碳谱模拟图 |
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