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rickeyqu1030金虫 (小有名气)
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[求助]
求助一个碳谱 已有1人参与
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溶剂：DMSO，碳谱数据如下：28.75, 63.06, 123.76, 126.57, 136.90, 150.18, 153.25, 166.25, 173.53 谢谢 |
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
rickeyqu1030: 金币+10, ★★★很有帮助 2014-12-05 16:12:33
感谢参与，应助指数 +1
rickeyqu1030: 金币+10, ★★★很有帮助 2014-12-05 16:12:33
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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 28.75, 63.06, 123.76, 126.57, 136.90, 150.18, 153.25, 166.25, 173.53 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O CD3COOD C4D8O2 D2O CF3COOD CD3OD 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86个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . nicotinic acid 相似度:66.6% China Journal of Chinese Materia Medica 2008 33 1415-1417 Chemica constituents of aerial part of Acalypha australis WANG Xiaolan , YU Kaibei, PENG Shulin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . nicotinic acid 相似度:66.6% China Journal of Chinese Materia Medica 2007 32 39-41 Studies on the alkaloids of Anemarrhena asphodeloides SHENG Li, DAI Shengjun, ZHAO Dazhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . C-(2-Phenylpropylidene)-N-methylnitrone C10H13NO 相似度:66.6% Molecules 2011 16 6677-6683 Fast Method for Synthesis of Alkyl and Aryl-N-Methylnitrones Serkan Yavuz, Hamdi Ozkan, Naki Colak and Yilmaz Yildirir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . nicotinic acid 相似度:66.6% Chinese Journal of Medicinal Chemistry 2010 20 61-63 Isolation and identification of chemical constituents from Artemisia capillaries Thunb. MA Hong-yu, SUN Yi LI A-li, CHEN Gang, WU Hong-hua, PEI Yue-hu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . nicotinic acid 相似度:66.6% 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 -------------------------------------------------------------------------------- 6 . nicotinic acid 相似度:66.6% Journal of Shenyang Pharmaceutical University 2005 22 15-44 Chemical constituents of Folium Isatidis LI Wei, CHEN Fa-kui, YIN Xiang-wu, LIU Xiao-qiu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . niacin 相似度:66.6% Natural Product Research and Development 2010 22 422-424 Chemical Constituents from Fruiting Bodies of Phylloporia ribis(Lonicera japonica Thunb.) LI Cong; ZHANG Yong-qing; LI Jia; QIU Li-li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3,3,3-trifluoro-2-hydroxy-2-(4-hydroxy-3,5-diisopropyl-phenyl)-propionamide C15H20F3NO3 相似度:66.6% Bioorganic & Medicinal Chemistry 2009 17 7056-7063 Comparative molecular field analysis and synthetic validation of a hydroxyamide-propofol binding and functional block of neuronal voltage-dependent sodium channels Milton L. Brown, Hilary A. Eidam, Mikell Paige, Paulianda J. Jones, Manoj K. Patel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . nicotinic acid 相似度:66.6% Chinese Journal of Natural Medicines 2012 10 0303-0306 Chemical constituents from the roots of Polyalthia obliqua Ji-Hong WANG, Ming-Hui JI, Huo-Ming SHU, Guang-Ying CHEN, Xiao-Ping SONG, Jing WANG Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . nicotinic acid 相似度:66.6% Journal of Guangdong Phamaceutical University 2007 23 121-123 Separation and analysis of the chemical constituents of Mallotus apelta KANG Fei, LU Hua-chong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . nicotinic acid 相似度:66.6% Chinese Traditional and Herbal Drugs 2014 45 631-634 Chemical constituents from seeds of Helianthus annuus FEI Yong-he, CHEN Zhong, LI Xiao-ran, XU Qiong-ming, YANG Shi-lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . nicotinic acid 相似度:66.6% Chinese Traditional and Herbal Drugs 2012 43 667-669 Study on chemical constituents in pollen of Typha angustifolia LI Fang; CHEN Pei-dong; DING An-wei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . nicotinic aicd 相似度:66.6% Lishizhen Medicine and Materia Medica Research 2008 19 1851-1852 Studies on the Chemical Constituents from Hairy Roots of Polygonum multiflorum Thunb. YAN Chun-yan; MA Na; WANG Jin-lin; YU Rong-min Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 吲哚-3-乙酸 相似度:66.6% Journal of Chinese Medicinal Materials 2008 31 645-647 Secondary Metabolites of a Marine Actinomycete Streptomyces sp.(No.195-02) from South China Sea LI Chun-yuan, DING Wei-jia, SHE Zhi-gang, LIN Yong-cheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . Methyi nicotinate 相似度:66.6% Magnetic Resonance in Chemistry 1992 30 681-683 Interpretation of the 13C NMR spectra of thirteen methoxycarbonylpyridines and some of their derivatives Reija Jokela Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . rneta-substituted methyl benzoate(Aza) 相似度:66.6% Magnetic Resonance in Chemistry 1989 27 585-591 Correlation of carbon-13 substituent-induced chemical shifts: Meta- and para-substituted methyl benzoates Miloš Buděšńský and Otto Exner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . nicotinic acid 相似度:66.6% Special Wild Economic Animal and Plant Research 2010 62-63,77 Study on Chemical Constituents of Descurainia sophia（L. ）Webb ex Prantl CHEN Di, LIU Xin, YANG Xiao- hong, SUN Kai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . nicotinic acid 相似度:66.6% Chinese Joumal of Experimental Traditional Medical Fomulae 2011 17 97-101 Investigations on Chemical Constituents of Methanolic Extract from Penicillium jiangxiense CHEN Chao, PAN Wei-dong, XIAO Jian-hui, LIANG Guang-yi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . nicotinic acid C6H5O2N1 相似度:66.6% Tetrahedron 2014 70 8545-8558 Expedient carbonylation of aryl halides in aqueous or neat condition Wei Jie Ang, Lee-Chiang Lo, Yulin Lam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . tert-butyl 2-pyridinecarboxylate C10H13NO2 相似度:55.5% Chemical & Pharmaceutical Bulletin 1995 43 916-919 Studies on Organometallic Compounds. VII. Reaction of Di-tert-butyl Dicarbonate with α-Trialkylstannyl Derivatives of Pyridine, Quinoline, and Isoquinoline Yutaka YAMAMOTO,Hidekazu OUCHI and Takuo TANAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . (Z)-α-(2'-Bromo-3-pyridyl)-N-tert-butylnitrone C10H13BrN2O 相似度:55.5% Bioorganic & Medicinal Chemistry 2011 19 951-960 Synthesis, structure, theoretical and experimental in vitro antioxidant/pharmacological properties of α-aryl, N-alkyl nitrones,as potential agents for the treatment of cerebral ischemia Abdelouahid Samadi, Elena Soriano, Julia Revuelta, Carolina Valderas, Mourad Chioua,Ignacio Garrido, Begoña Bartolomé, Isabelle Tomassolli, Lhassane Ismaili, Laura González-Lafuente,Mercedes Villarroya, Antonio G. García, María J. Oset-Gasque, José Marco- Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . (Z)-α-(2'-Chloro-3-pyridyl)-N-t-butylnitrone C10H13ClN2O 相似度:55.5% Bioorganic & Medicinal Chemistry 2011 19 951-960 Synthesis, structure, theoretical and experimental in vitro antioxidant/pharmacological properties of α-aryl, N-alkyl nitrones,as potential agents for the treatment of cerebral ischemia Abdelouahid Samadi, Elena Soriano, Julia Revuelta, Carolina Valderas, Mourad Chioua,Ignacio Garrido, Begoña Bartolomé, Isabelle Tomassolli, Lhassane Ismaili, Laura González-Lafuente,Mercedes Villarroya, Antonio G. García, María J. Oset-Gasque, José Marco- Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 2-chloro-4-(2-pyridinyl)pyrimidine C9H6ClN3 相似度:55.5% Journal of Heterocyclic Chemistry 2007 44 363-367 Synthesis of 2,2'-bipyridyl-type compounds via the suzuki-miyaura cross-coupling reaction Nicholas A. Jones,James W. Antoon,Alfred L. Bowie Jr.,J. Brian Borak and Erland P. Stevens Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 6-chloro-2-(2-methylpropenyl)-3-nitroimidazo[1,2-b]pyridazine C10H9ClN4O2 相似度:55.5% Journal of Heterocyclic Chemistry 2002 39 173-177 Synthesis of 2-substituted-3-nitroimidazo[1,2-b]pyridazines as potential biologically active agents Thierry Terme, Joséa Maldonado, Michel P. Crozet, Patrice Vanelle, Christophe Galtier and Alain Gueiffier Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 1,4,2-benzodithiazine-8-carboxylic acid methyl ester C9H7NO2S2 相似度:55.5% Journal of Heterocyclic Chemistry 2000 37 955-958 Synthesis of 1,4,2-benzodithiazine carboxylates via ring expansion reaction of 1,3-benzodithioles Peter Stanetty, Gregor Hattinger, Marko D. Mihovilovic and Kurt Mereiter Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 3-(1-H-tetrazole-5-yl) pyridine 相似度:55.5% Journal of Heterocyclic Chemistry 2010 47 913-922 Clay-catalyzed synthesis of 5-substituent 1-H-tetrazoles Alireza Najafi Chermahini, Abbas Teimouri, Fariborz Momenbeik, Amin Zarei, Zeinab Dalirnasab, Aseyeh Ghaedi and Mostafa Roosta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . N-(pyridin-2-ylmethylene)thiazol-2-amine C9H7N3S 相似度:55.5% Heterocycles 2007 71 1381-1396 Stereoselective Synthesis of Polyfunctionalized Aziridines Luigino Troisi, Catia Granito, Emanuela Pindinelli, and Ludovico Ronzini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 2-(2-azido-2-deoxy-β-D-ribofuranosyl)thiazole-4-carboxamide C9H11N5O4S 相似度:55.5% Tetrahedron Letters 2004 45 7125-7128 Synthesis and biological evaluation of two novel 2'-substituted tiazofurin analogues Mirjana Popsavin, Ljilja Torović, Vesna Kojić, Gordana Bogdanović, Velimir Popsavin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . t-Butry13-ethyloxycarbonyloxy-6-hydroxymethylbenzoate C15H20O6 相似度:55.5% Bioorganic & Medicinal Chemistry 1994 2 757-771 Functionalized depsipeptides, substrates and inhibitors of β-lactamases and DD-peptidases D. Cabaret, J. Liu, M. Wakselman, R.F. Pratt, Y. Xub Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 2-chloro-6-methylbenzothiazole C7H4ClNS 相似度:55.5% Bioorganic & Medicinal Chemistry 2009 17 5275-5284 Synthesis, antioxidant properties and radioprotective effects of new benzothiazoles and thiadiazoles Damien Cressier, Caroline Prouillac, Pierre Hernandez, Christine Amourette, Michel Diserbo, Claude Lion, Ghassoub Rima Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . 2-ethylbenzothiazole 相似度:55.5% 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 -------------------------------------------------------------------------------- 32 . 4-amino-3-(3-fluorobenzyl)-1H-1,2,4-triazole-5(4H)-thione C9H9FN4S 相似度:55.5% Bulletin of the Korean Chemical Society 2012 33 3943-3949 Synthesis and Biological Activities of Some New 3,6-Disubstituted 1,2,4-Triazolo[3,4-b]1,3,4-thiadiazole Derivatives Muhammad Rafiq, Muhammad Saleem, Muhammad Hanif, Muhammad Rizwan Maqsood, Nasim Hasan Rama, Ki-Hwan Lee, Sung-Yum Seo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . diethyl 2-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimi-din-5(6H)-ylidene)-1,3-dithiole-4,5-dicarboxylate C15H16N2O7S2 相似度:55.5% Journal of the Iranian Chemical Society 2012 9 333-338 Synthesis of oxoindolin-3-ylidene-1,3-dithioles S. Ahadi, Gh. Hosseini, A. Bazgir Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 3-pyridinecarboxylic acid 相似度:55.5% Academic Journal of Second Military Medical University 2000 21 207-208 Organic acids of tetraploidy Isatis indigotica LI Bin, CHEN Wan Sheng, YANG Gen Jin, ZHANG Wei Dong, QIAO Chuan Zhuo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . 3-oxa-6-azabicyclo[3.1.0]hexan-6-yl(pyridin-2-yl)methanone C10H10N2O2 相似度:55.5% Tetrahedron 2013 69 5702-5709 Enantioselective fluoride ring opening of aziridines enabled by cooperative Lewis acid catalysis Julia A. Kalow, Abigail G. Doyle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . ethyl 3-pyridinecarboxylate 相似度:55.5% Tetrahedron 2013 69 8088-8095 The dual role of ionic liquid BmimBF4, precursor of N-heterocyclic carbene and solvent, in the oxidative esterification of aldehydes Isabella Chiarotto, Marta Feroci, Giovanni Sotgiu, Achille Inesi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . compound 3 C21H13F6N2S4 相似度:55.5% Tetrahedron 2013 69 11064-11069 Photoswitchable organocatalysis in acylation of alcohol using dithienylethene-linked azoles Hiroki Iida, Naofumi Umebayashi, Eiji Yashima Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . compound 27 相似度:55.5% Magnetic Resonance in Chemistry 1990 28 299-304 13C NMR study of quipazines P. Joseph-Nathan and C. García-Martínez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 5-(dibenzylaminomethylidene)-pyrimidino-2,4,6(1 H,3 H)-trione C19H18N4O3 相似度:55.5% Journal of the Brazilian Chemical Society 2001 12 247-254 Synthesis and Spectroscopic Characterization of 5-Diaminomethylidene Barbiturates. José D. Figueroa-Villar, Fábio C. Clemente and Ana C. C. da Silva Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 6,6'-Dihydroxamic-2,2'-bipyridine C12H10N4S2 相似度:55.5% Journal of the Brazilian Chemical Society 1998 9 455-460 Synthesis of the Novel 4,4'- and 6,6'- Dihydroxamic - 2,2'-Bipyridines and Improved Routes to 4,4'- and 6,6'- Substituted 2,2'-Bipyridines and Mono-N-Oxide-2,2'-Bipyridine. Claudio Luis Donnici, Daniel Henrique Máximo Filho, Leda Lúcia Cruz Moreira, Genuína Teixeira dos Reis, Estefania Santos Cordeiro, Ione Ma. Ferreira de Oliveira, Sandra Carvalho, and Eucler B. Paniago Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . Nicotinic acid C6H5NO2 相似度:55.5% Chinese Journal of Applied & Environmental Biology 2007 13 66-68 Chemical Study on Aspergillus sp.136 QIN Ling; LI Bogang; GUAN Jiafa & ZHANG Guolin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . 4-Amino-3,5-dinitro-1-(tertbutoxycarbonylamino) benzene 相似度:55.5% Bioorganic & Medicinal Chemistry 2013 23 3318-3326 Benzimidazole-based antibacterial agents against Francisella tularensis Kunal, Kumar, Divya, Awasthi, Seung-Yub, Lee, Jason, E., Cummings, Susan, E., Knudson, Richard, A., Slayden, Iwao, Ojima Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . compound 4 相似度:55.5% Magnetic Resonance in Chemistry 1992 30 681-683 Interpretation of the 13C NMR spectra of thirteen methoxycarbonylpyridines and some of their derivatives Reija Jokela Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . Diphenyl N-(4-pyridinylcarbonyl)phosphoramidate C18H15N2O4P 相似度:55.5% Monatshefte für Chemie 2013 144 1417-1425 Some new compounds with P(E)NHC(O) (E = lone pair, O, S) linkage: synthesis, spectroscopic, crystal structures, theoretical studies, and antimicrobial evaluation Khodayar Gholivand, Niloufar Dorosti Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . nicotinic acid 相似度:55.5% Chinese Archives of Traditional Chinese Medicine 2010 28 1320-1322 New ChemicalConstituents from Radix Angelicae sinensis after Processing ZHOU Gui-fen, LU Gui-yuan, CHEN Su-hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . ethyl 2-fluoro-2-(pyridin-2-ylthio)acetate 相似度:55.5% Tetrahedron 2014 70 5632-5639 Stereoselective formation of (Z)-2-fluoroalkenoates via Julia–Kocienski reaction of aldehydes with pyrimidinyl-fluorosulfones Florent Larnaud, Emmanuel Pfund, Bruno Linclau, Thierry Lequeux Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . ethyl nicotinate C8H9O2N1 相似度:55.5% Tetrahedron 2014 70 8545-8558 Expedient carbonylation of aryl halides in aqueous or neat condition Wei Jie Ang, Lee-Chiang Lo, Yulin Lam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . rutadisulfide B C11H18O2S2 相似度:54.5% Pharmaceutical Biology 1996 34 189-193 New Sulfides from Ferula rutabensis Al-Said M.S., Sattar E.A., El-Feraly F.S., Nahrstedt A., Coen M. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . compound-8 相似度:54.5% Bioorganic & Medicinal Chemistry Letters 2008 18 1768-1771 Electrophilic α-thiocyanation of chiral and achiral N-acyl imides. A convenient route to 5-substituted and 5,5-disubstituted 2,4-thiazolidinediones J.R. Falck, Shuanhu Gao, Ravi Naga Prasad, Sreenivasulu Reddy Koduru Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . 4-Ethoxy-8-methylquinazoline C11H12N2O 相似度:54.5% Molecules 2013 18 5580-5593 Hexachlorocyclotriphosphazene (HCCP)-Mediated Direct Formation of Thioethers and Ethers from Quinazolin-4(3H)-ones Baoxiang Hu, Xiaochu Zhang, Lili Sheng, Ming Guo, Zhenlu Shen, Xinquan Hu, Nan Sun and Weimin Mo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . A1-pro-1 C42H97NO11 相似度:50% Chemical & Pharmaceutical Bulletin 1991 39 2867-2877 Marine Natural Products. XXVIII. The Structures of Sarasinosides A1, A2, A3, B1, B2, B3, C1, C2, and C3, Nine New Norlanostane-Triterpenoidal Oligoglycosides from the Palauan Marine Sponge Asteropus sarasinosum Motomasa KOBAYASHI,Yoshihiro OKAMOTO and Isao KITAGAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . 5-Hydroxy-1H-indole-3-ethanol C10H11NO3 相似度:50% Chinese Journal of Marine Drugs 2006 25(5) 1-5 Studies on the tumor cytotoxic constituents from the marine sponge Hyrtios erectus DAI Hao-fu, MEI Wen-li, PROKSCH Peter, LIN Wen-han Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 53 . compound 12a 相似度:50% Tetrahedron Letters 2000 41 1131-1136 Regioselective synthesis of various prodrugs of ganciclovir Hongwu Gao, Ashim K. Mitra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 54 . (±)-2-methyl-6-nitro-1,2,3,4-tetrahydroquinoline C10H12N2O2 相似度:50% Journal of Heterocyclic Chemistry 2008 45 1155-1160 6-Nitro-1,2,3,4-tetrahydroquinolines by a tandem reductive amination-SNAr reaction Richard A. Bunce and Takahiro Nago Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 55 . 5-methyl-3,5-di(4-nitrophenyl)imidazolidine-2,4-dione C16H12N4O6 相似度:50% Journal of Heterocyclic Chemistry 2005 42 899-906 Multinuclear NMR studies and ab initio structure calculations of hindered phencyclone diels-alder adducts from symmetrical cyclic dienophiles: Cyclohexene,vinylene carbonate,vinylene trithiocarbonate and two N-aryl maleimides Ronald Callahan,Orlando Ramirez III,Kerstin Rosmarion,Robert Rothchild and Kevin C. Bynum Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 56 . ethyl-3-(2-pyridyl)-(E)-2-propenoate 相似度:50% Indian Journal of Chemistry Section B 2005 44B 1894-1908 Nitrogen ligands: The transition metal catalyzed reaction of aryl halides with olefins (Mizoroki-Heck),phenylboronic acid (Suzuki coupling) and Buchwald-Hartwig amination,new catalysts and effect of co-catalysts — Aryl halide activation — Part I Iyer,Suresh; Kulkarni,Girish M; Ramesh,C; Sattar,Aruna K Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 57 . diethyl 2-[(6-chloro-3-nitroimidazo[1,2-b]pyridazin-2-yl)methyl]-2-hydroxymalonate C14H15ClN4O7 相似度:50% Heterocycles 2008 75 925-932 Rapid Synthesis of New Azaheterocyclic Hydroxymalonate Derivatives Using TDAE Approach Marc Montana, Maxime D. Crozet, Caroline Castera-Ducros, Thierry Terme, and Patrice Vanelle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 58 . (5RS)-4-azido-5-benzyl-3-bromo-1-methylpyrrol-2-one C12H11BrN4O 相似度:50% Heterocycles 2008 76 1401-1423 Triphenylphosphoranylidene Substituted Heterocycles as Versatile Intermediates Alan R. Katritzky, Adam S. Vincek, and Peter J. Steel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 59 . ethyl 3-(pyridin-2-yl)prop-2-ynoate 相似度:50% Heterocycles 2007 74 545-552 Facile One-Pot Synthesis of Functionalized Acetylenes from Aryl and Heteroaryl Aldehydes Using Lithium Trimethylsilyldiazomethane Yoshiyuki Hari, Koji Date, Toyohiko Aoyama Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 60 . Compound 9 C10H11NO2 相似度:50% Bioorganic & Medicinal Chemistry Letters 2009 19 1876-1878 First asymmetric synthesis of CJ-14877 and its enantiomer and their interleukin-1β inhibitory activities Yutaka Aoyagi, Yoshiyuki Adachi, Shunta Akagi, Naohito Ohno, Koichi Takeya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 61 . MRC20088-6 相似度:50% Magnetic Resonance in Chemistry 2008 46 182-185 Substituent effects of the N, N-dimethyl- sulfamoyl group on the 1H and 13C NMR spectra of positional isomers of quinolines (pages 182–185) Andrzej Maślankiewicz, Maria J. Maślankiewicz and Krzysztof Marciniec Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 62 . 2,5-bis-14-[N-(3-Dimethylaminopropyl)amidino]phenyl}-furan hydrochloride 相似度:50% Bioorganic & Medicinal Chemistry 1995 3 785-794 Small changes in cationic substituents of diphenylfuran derivatives have major effects on the binding affinity and the binding mode with RNA helical duplexes Min Zhao, Lynda Ratmeyer, Robert G. Peloquin, Shijie Yao, Arvind Kumar, Jaroslaw Spychala, David W. Boykin, W. David Wilson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 63 . 4-Pyridin-4-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine C12H12N2S 相似度:50% Bioorganic & Medicinal Chemistry 2000 8 2277-2289 Glucose-6-phosphatase Catalytic Enzyme Inhibitors: Synthesis and In Vitro Evaluation of Novel 4,5,6,7-Tetrahydrothieno[3,2-c]- and -[2,3-c]pyridines Peter Madsen, Jane M. Lundbeck, Palle Jakobsen, Annemarie R. Varming, Niels Westergaard Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 64 . 2-(4-Chlorophenyl)-5-propyl oxazole C12H12ClNO 相似度:50% Chemical Communications 2009 3907-3909 Unconventional oxazole formation from isocyanides Auré lie dos Santos, Laurent El Kaı¨ m,* Laurence Grimaud* and Caroline Ronsseray Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 65 . 5-acetoxymethyl-2-phenylisothiazol-3(2H)-one C12H11NO3S 相似度:50% Bioorganic & Medicinal Chemistry 2009 17 467-474 Synthesis of isothiazol-3-one derivatives as inhibitors of histone acetyltransferases (HATs) Stephen Gorsuch, Vassilios Bavetsias, Martin G. Rowlands, G. Wynne Aherne, Paul Workman, Michael Jarman, Edward McDonald Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 66 . compound 3c 相似度:50% Indian Journal of Chemistry Section B 2011 50B 580-586 Microwave assisted synthesis, chemiluminescent and theoretical studies of bromoalkyl esters of acridine-9-carboxylic acid Samai, Subhasis; Nandi, Ganesh C; Singh, Pallavi; Gupta, A; Singh, M S Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 67 . ethyl (1SR,5RS,8RS)-8-hydroxy-6-oxo-7-phenyl-2-oxa-3,7-diazabicyclo[3.3.0]-oct-3-ene-4-carboxylate C14H14N2O5 相似度:50% Russian Journal of Organic Chemistry 2009 45 1776-1782 Reduction of 7-aryl-6,8-dioxo-2-oxa-3,7-diazabicyclo[3.3.0]oct-3-ene-4-carboxylic and 7-aryl-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid esters A. V. Stepakov, I. A. Galkin, A. G. Larina, A. P. Molchanov and R. R. Kostikov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 68 . ethyl (1SR,5RS,8SR)-8-hydroxy-6-oxo-7-phenyl-2-oxa-3,7-diazabicyclo[3.3.0]-oct-3-ene-4-carboxylate C14H14N2O5 相似度:50% Russian Journal of Organic Chemistry 2009 45 1776-1782 Reduction of 7-aryl-6,8-dioxo-2-oxa-3,7-diazabicyclo[3.3.0]oct-3-ene-4-carboxylic and 7-aryl-6,8-dioxo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid esters A. V. Stepakov, I. A. Galkin, A. G. Larina, A. P. Molchanov and R. R. Kostikov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 69 . methyl (E)-3-(2-pyridylthio)-2-butenoate C10H11NOS 相似度:50% Russian Journal of Organic Chemistry 2002 38 1681-1685 Cyanoacetylene and Its Derivatives: XXXI. Nucleophilic Addition of 2- and 4-Mercaptopyridines to Cyanacetylenes L. V. Andriyankova, S. A. Zhivet'ev, A. G. Mal'kina, P. N. Kudryakova and E. I. Kositsyna, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 70 . methyl (Z)-3-(2-pyridylthio)-2-butenoate C10H11NOS 相似度:50% Russian Journal of Organic Chemistry 2002 38 1681-1685 Cyanoacetylene and Its Derivatives: XXXI. Nucleophilic Addition of 2- and 4-Mercaptopyridines to Cyanacetylenes L. V. Andriyankova, S. A. Zhivet'ev, A. G. Mal'kina, P. N. Kudryakova and E. I. Kositsyna, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 71 . Sch 725418 C24H24N4O2 相似度:50% The Journal of Antibiotics 2004 57 345-347 Structure Elucidation of a New Diketopiperazine Sch 725418 from Micromonospora sp. SHU-WEI YANG,TZE-MING CHAN,JOSEPH TERRACCIANO,DAVID LOEBENBERG,GUODONG CHEN,MAHESH PATEL,VINCENT GULLO,BIRENDRA PRAMANIK and MIN CHU Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 72 . 2-allylphenyl propionate C12H14O2 相似度:50% Tetrahedron 2012 68 2611-2620 A general route for the stereoselective synthesis of (E)-(1-propenyl)phenyl esters by catalytic CC bond isomerization Alba E. Díaz-Álvarez, Pascale Crochet, Victorio Cadierno Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 73 . (E)-4-(1-propenyl)phenyl propionate C12H14O2 相似度:50% Tetrahedron 2012 68 2611-2620 A general route for the stereoselective synthesis of (E)-(1-propenyl)phenyl esters by catalytic CC bond isomerization Alba E. Díaz-Álvarez, Pascale Crochet, Victorio Cadierno Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 74 . methyl 8-methoxy-7-quinolinecarboxylate C12H11NO3 相似度:50% European Journal of Organic Chemistry 2011 2531-2541 Synthesis and Structural Analysis of Porphyrin-Based Polynucleating Ligands Bearing 8-Methoxy- and 8-(Allyloxy)quinoline Units Fabrice Eckes, Emmanuel Deiters, Adrien Métivet, Véronique Bulach and Mir Wais Hosseini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 75 . 1-(3-tert-butyl-2,2-dimethyl-2H-thiet-4-yl)-5,5-dimethyl-3-(4-nitrophenyl)imidazolidine-2,4-dione C20H25N3O4S 相似度:50% Heterocycles 2012 84 945-961 Reactivity of N-Alkylthiiranimines toward Simple Nucleophiles and Iso(thio)cyanates Hildegard Nimmesgern, Ernst Schaumann,* and Gunadi Adiwidjaja Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 76 . (±)-(1α,2β)-2-(2-amino)-6-chloro-9H-purin-9-yl)cyclopentan-1-ol 相似度:50% Journal of Medicinal Chemistry 1995 38 1174-1188 Search for New Purine- and Ribose-Modified Adenosine Analogs as Selective Agonists and Antagonists at Adenosine Receptors Suhaib M. Siddiqi, Kenneth A. Jacobson, John L. Esker, Mark E. Olah, Xiao-duo Ji, Neli Melman, Kamal N. Tiwari, John A. Secrist III, Stewart W. Schneller, Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 77 . isobutyl o-tolylcarbamate C12H17NO2 相似度:50% Tetrahedron 2013 69 2588-2593 Reaction of organozinc halides with aryl isocyanates Haoran Yang, Danfeng Huang, Ke-Hu Wang, Changming Xu, Teng Niu, Yulai Hu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 78 . 8-Azabicyclo[5.1.0]octan-8-yl(pyridin-2-yl)methanone C13H16N2O 相似度:50% Tetrahedron 2013 69 5702-5709 Enantioselective fluoride ring opening of aziridines enabled by cooperative Lewis acid catalysis Julia A. Kalow, Abigail G. Doyle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 79 . compound 6a C66H54B4F16Fe2N24 相似度:50% Molecules 2013 18 6383-6407 [Fe2L3]4+ Cylinders Derived from Bis(bidentate) 2-Pyridyl-1,2,3-triazole “Click” Ligands: Synthesis, Structures and Exploration of Biological Activity Sreedhar K. Vellas, James E. M. Lewis, Madhu Shankar, Alia Sagatova, Joel D. A. Tyndall, Brian C. Monk, Christopher M. Fitchett, Lyall R. Hanton and James D. Crowley Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 80 . 6-(4-chlorobenzylamino)-5-iodo-1,3-dimethylpyrimidine-2,4(1H,3H)-dione C13H13ClN3O2 相似度:50% Journal of Heterocyclic Chemistry 2013 50 1031-1038 KI-VO(acac)2-H2O2-AcOH, A New Iodinating System for Selective Iodination at C-5 Position of Activated Pyrimidinediones: A Combined Experimental and Density Functional Study Lakhinath Saikia, Dhrubajyoti Talukdar, Ramesh C. Deka and Ashim J. Thakur Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 81 . alcoholysis of 4-nitrophthalic acid 相似度:50% Canadian Journal of Chemistry 1980 58 617-621 Synthesis and carbon-13 nuclear magnetic resonance spectra of monoethyl 4-nitro and 4-amino phthalates Kalkunte S. Seshadri, John D. Bacha Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 82 . compound 29 相似度:50% Organic Magnetic Resonance 1984 22 388-394 Luminescent metal complexes. 4—13C NMR spectra of the tris chelates of substituted 2,2′-bipyridyls and 1,10-phenanthrolines with ruthenium(II) and osmium(II) Michael J. Cook, Anthony P. Lewis and Glenn S. G. McAuliffe Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 83 . 4-Ethoxyquinazoline C10H10N2O 相似度:50% Molecules 2013 18 5580-5593 Hexachlorocyclotriphosphazene (HCCP)-Mediated Direct Formation of Thioethers and Ethers from Quinazolin-4(3H)-ones Baoxiang Hu, Xiaochu Zhang, Lili Sheng, Ming Guo, Zhenlu Shen, Xinquan Hu, Nan Sun and Weimin Mo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 84 . Dimethyl (9H-Xanthene-9-ylidene)malonate 相似度:50% Helvetica Chimica Acta 1996 79 1785-1792 Carbenoid Reactions of Dimethyl Diazomalonate with Aromatic Thioketones and 1,3-Thiazole-5(4H)-thiones Grzegorz Mlostón and Heinz Heimgartner Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 85 . N-Benzyl-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide C14H14N4OS 相似度:50% Archiv der Pharmazie 2013 346 743-756 Syntheses and Biological Activities of New Hybrid Molecules Containing Different Heterocyclic Moieties Sule Ceylan, Hakan Bektas, Hacer Bayrak, Neslihan Demirbas, Sengul Alpay-Karaoglu and Serdar Ülker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 86 . N-Benzyl-2-(pyridin-3-ylcarbonyl)hydrazinecarboxamide C14H14N4O2 相似度:50% Archiv der Pharmazie 2013 346 743-756 Syntheses and Biological Activities of New Hybrid Molecules Containing Different Heterocyclic Moieties Sule Ceylan, Hakan Bektas, Hacer Bayrak, Neslihan Demirbas, Sengul Alpay-Karaoglu and Serdar Ülker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- Copyright © 2009-2011 上海微谱信息技术有限公司 Shanghai Micronmr Infor Technology Co., Ltd., All Rights Reserved 地址：上海市杨浦区邯郸路100号61栋131室(复旦科技园), 邮编:200437 E-mail: micronmr@126.com 咨询电话:086-021-61736083 沪ICP备10026489号 |
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