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碳谱数据如下： 29.83,43.49,45.01,59.33,121.16,124.07,126.89,127.66,132.25,155.76 谢谢各位高人了！ |
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jasminelw
铁杆木虫 (正式写手)
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感谢参与，应助指数 +1
海芋咖啡: 金币+20, ★★★很有帮助 2013-04-29 21:08:01
感谢参与，应助指数 +1
海芋咖啡: 金币+20, ★★★很有帮助 2013-04-29 21:08:01
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1 . 4,5-dihydro-1-(2-methoxy-3-methylphenyl)-3-methylimidazol-2(1H)-one C12H16N2O2 相似度:75% Canadian Journal of Chemistry 2004 82 1649-1661 Lithiation of 1-arylimidazol-2(1H)-ones and 1-aryl-4,5-dihydroimidazol-2(1H)-ones Carme Cantos Llopart, Conchita Ferrer, John A Joule Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . tert-Butyl 2-phenyl-2,3-dihydropyridazine-1(6H)-carboxylate C15H20N2O2 相似度:72.7% Tetrahedron 2012 68 1011-1016 Combination of hydrazine polyanion strategy and ring-closing metathesis in the synthesis of heterocycles Svetlana Tšupova, Oleg Lebedev, Uno Mäeorg Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . tert-Butyl N-(1-Allyl-1-phenyl-3-butenyl)carbamate C18H25NO2 相似度:72.7% European Journal of Organic Chemistry 2012 334-344 A New Method of Synthesis of 6-Substituted Piperidine-2,4-diones from Homoallylamines Nikolai Yu. Kuznetsov, Victor I. Maleev, Victor N. Khrustalev, Anna F. Mkrtchyan, Ivan A. Godovikov, Tatyana V. Strelkova and Yuri N. Bubnov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 2-(4-chlorobutyl)-1,2-benzisothiazol-3(2H)-one C11H12NOSCl 相似度:72.7% Journal of Medicinal Chemistry 1994 37 2552-2563 Cyclic Benzamides as Mixed Dopamine D2/Serotonin 5-HT2 Receptor Antagonists: Potential Atypical Antipsychotic Agents Mark H. Norman, Greg C. Rigdon, Frank Navas III, Barrett R. Cooper Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 5-(dimethylamino)methyl-3-phenylhydantoin hydrochloride C12H16N3O2Cl 相似度:70% Chemical & Pharmaceutical Bulletin 2009 57 1415-1420 Preparation and Chemical Properties of 5-Dialkylaminomethylhydantoins and 2-Thio-Analogues Fumiko Fujisaki, Kaori Shoji and Kunihiro Sumoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 3-(4-chlorophenyl)-5-(dimethylamino)methylhydantoin hydrochloride C12H15N3O2Cl2 相似度:70% Chemical & Pharmaceutical Bulletin 2009 57 1415-1420 Preparation and Chemical Properties of 5-Dialkylaminomethylhydantoins and 2-Thio-Analogues Fumiko Fujisaki, Kaori Shoji and Kunihiro Sumoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 5-(2-hydroxyethyl)-2-[(4-chlorophenyl)imino]-3-methyl-1,3-thiazolidin-4-one C12H13ClN2O2S 相似度:70% Journal of Heterocyclic Chemistry 2009 46 635-639 Efficient synthesis of 5-(2-hydroxyethyl)-2-phenylimino-1,3-thiazolidin-4-ones and 5-(2-hydroxyethyl)-2-phenylamino-4,5-dihydro-1,3-thiazol-4-ones Jiří Váňa,Jiří Hanusek,Aleš Růžička and Miloš Sedlák Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 1-carboxymethyl-3-(4-bromophenyl)-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1H-pyrazole 相似度:70% Journal of Heterocyclic Chemistry 2010 47 301-308 Straightforward microwave-assisted synthesis of 1-carboxymethyl-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1H-pyrazoles under solvent-free conditions Marcos A. P. Martins, Paulo H. Beck, Dayse N. Moreira, Lilian Buriol, Clarissa P. Frizzo, Nilo Zanatta and Helio G. Bonacorso Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . {2-[(1H-dibenzo[2,3:6,7]oxepino[4,5-d]imidazol-2-ylmethy-l)oxy]ethyl}dimethylamine C20H21N3O2 相似度:70% Journal of Heterocyclic Chemistry 2010 47 640-656 Novel tetracyclic imidazole derivatives: Synthesis, dynamic NMR study, and anti-inflammatory evaluation Renata Rupčić, Marina Modrić, Antun Hutinec, Ana Čikoš, Barbara Stanić, Milan Mesić, Dijana Pešić and Mladen Merćep Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 2-methyl-1,2,3,4-tetrahydroisoquinoline 相似度:70% Heterocycles 2004 63 401-409 Alkali Metal-mediated Synthesis of 1- and 4-Substituted N-Alkyl-1,2,3,4-tetrahydroisoquinolines Ugo Azzena,* Luisa Pisano, and Mario Pittalis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 1-deutero-2-methyl-1,2,3,4-tetrahydroisoquinoline 相似度:70% Heterocycles 2004 63 401-409 Alkali Metal-mediated Synthesis of 1- and 4-Substituted N-Alkyl-1,2,3,4-tetrahydroisoquinolines Ugo Azzena,* Luisa Pisano, and Mario Pittalis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 3,4,5,6-tetrahydro-2H-benzo[1,4]thiazocine C10H13NS 相似度:70% Heterocycles 2004 63 2309-2318 An Efficient Synthesis of Benzene Fused Six-, Seven- and Eight-membered Rings Containing Nitrogen and Sulfur by Benzyne Ring Closure Reaction Chandrani Mukherjee and Ed Biehl* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 1-Adamantyl-4-phenyl-1H-1,2,3-triazole C18H21N3 相似度:70% Molecules 2010 15 2039-2059 Cationic Heteroleptic Cyclometalated IridiumIII Complexes Containing Phenyl-Triazole and Triazole-Pyridine Clicked Ligands Marco Felici, Pablo Contreras-Carballada, Jan M. M. Smits, Roeland J. M. Nolte, René M. Williams, Luisa De Cola and Martin C. Feiters Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 3-(p-bromophenyl)-5-hydroxy-5-trifluoromethylisoxazoline C10H7BrF3NO2 相似度:70% Magnetic Resonance in Chemistry 2005 43 1040-1043 Structure of the products of condensation of hydroxylamine with trifluoromethyl-β-diketones: assignments of the diastereotopic protons of the 4-methylene group in 5-hydroxy-5-trifluoromethyl-Δ2-isoxazolines Dionisia Sanz, Rosa M. Claramunt, Shiv P. Singh, Vinod Kumar, Ranjana Aggarwal, José Elguero and Ibon Alkorta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 6-Butyl-6-methyldibenzo(d,f)(1,3)dioxepine C18H20O2 相似度:70% Tetrahedron Letters 2004 45 6909-6913 Indium(III) chloride catalyzed one step synthesis of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives Graziella Tocco, Michela Begala, Giovanna Delogu, Carmen Picciau, Gianni Podda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . Lithium (2,2'-dioxodiphenyl)bis(morpholino)borate C20H24O4N2BLi 相似度:70% Zeitschrift für Naturforschung B 2006 61 1079-1093 Metal Tetrahydroborates and Tetrahydroborato Metallates, 30. Alkoxo-Substituted Alkali Metal Tetrahydroborates: Studies in Solution and Structures in the Solid State J. Knizek, H. Nöth, and M. Warchhold Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 4-chloroquinoline 1-oxide 10H8NO2Cl 相似度:70% Heterocycles 2001 55 1771-1778 One Pot Synthesis of Fused Pyrimidines from 2-[N-(Methylthiothiocarbonyl)amino]acetate A. Z. M. Shaifullah Chowdhury,* Yasuyuki Shibata, Masatoshi Morita, Kunimitsu Kaya, and Tomoharu Sano Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . N,N-dimethyl-2-(5-phenyl-1,2,4-triazin-3-ylthio)-ethan-amine C13H16N4S 相似度:70% Bioorganic & Medicinal Chemistry 2010 18 1958-1967 SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling Eduard Badarau, Ryszard Bugno, Franck Suzenet, Andrzej J. Bojarski, Adriana-Luminita Finaru, Gérald Guillaumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 2-(2-bromophenylthio)-N,N-dimethylethanamine C10H14BrNS 相似度:70% Bioorganic & Medicinal Chemistry 2010 18 1958-1967 SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling Eduard Badarau, Ryszard Bugno, Franck Suzenet, Andrzej J. Bojarski, Adriana-Luminita Finaru, Gérald Guillaumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 2-(3-bromophenylthio)-N,N-dimethylethanamine C10H14BrNS 相似度:70% Bioorganic & Medicinal Chemistry 2010 18 1958-1967 SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling Eduard Badarau, Ryszard Bugno, Franck Suzenet, Andrzej J. Bojarski, Adriana-Luminita Finaru, Gérald Guillaumet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . (4-methylpiperazin-1-yl)(10H-phenothiazin-10-yl)methanone C18H19N3OS 相似度:70% Bioorganic & Medicinal Chemistry 2010 18 2232-2244 Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants Sultan Darvesh, Ian R. Pottie, Katherine V. Darvesh, Robert S. McDonald, Ryan Walsh, Sarah Conrad, Andrea Penwell, Diane Mataija, Earl Martin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . tetrakis(2-dimethylaminoethylsulfanyl)phthalo-cyanine zinc C48H52N12S4Zn 相似度:70% Bioorganic & Medicinal Chemistry 2008 16 303-312 Synthesis and evaluation of cationic phthalocyanine derivatives as potential inhibitors of telomerase Lixia Zhang, Jing Huang, Lige Ren, Minghui Bai, Lin Wu, Baoping Zhai, Xiang Zhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 1-phenyl-hexahydro-[1,3,2]diazaphospholo[1,5a]-pyridine-1-oxide C12H17N2OP 相似度:70% Archiv der Pharmazie 2011 344 765-770 Synthesis and Antioxidant Activity of Substituted-1,3,2-Diazaphosphole 1-Oxides (pages 765–770) Kalla Reddi Mohan Naidu, Pasupuleti Visweswara Rao, Chamarthi Naga Raju and Kambam Srinivasulu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 2-(2-pyridylmethylamino)-6-chloropyrazine C10H19ClN4 相似度:70% Journal of Medicinal Chemistry 2006 49 407-416 Novel Inhibitors of B-RAF Based on a Disubstituted Pyrazine Scaffold. Generation of a Nanomolar Lead Ion Niculescu-Duvaz, Esteban Roman, Steven R. Whittaker, Frank Friedlos, Ruth Kirk, Ian J. Scanlon, Lawrence C. Davies, Dan Niculescu-Duvaz, Richard Marais, and Caroline J. Springer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 2-methyl-1,2,3,4-tetrahydroisoquinoline 相似度:70% Heterocycles 2012 86 469-485 Catalytic Asymmetric Synthesis of (S)-Laudanosine by Hydroamination Tokutaro Ogata, Tetsutaro Kimachi, Ken-ichi Yamada, Yasutomo Yamamoto, and Kiyoshi Tomioka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (1'R)-1-[1'-N-(Boc)amino-2'-hydroxy-ethyl]-cyclopent-3-enol C12H21NO4 相似度:70% Canadian Journal of Chemistry 2004 82 318-324 Diversity-oriented synthesis of enantiopure N-protected β,β-dialkylserines James E Dettwiler, William D Lubell Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 1-[2-hydroxy-4,6-bis(trifluoromethyl)phenyl]ethanone C10H6F6O2 相似度:70% Helvetica Chimica Acta 2013 96 44-58 Regioselective [3+3] Cyclization of 1,3-Bis(silyloxy)buta-1,3-dienes with 1,1,1-Trifluoro-4-(silyloxy)alk-3-en-2-ones: New and Convenient Synthesis of Functionalized 5-Alkyl-3-(trifluoromethyl)phenols Stefan Büttner, Alina Bunescu, Sebastian Reimann, T. H. Tam Dang, Thomas Pundt, Renske Klassen, Andreas Schmidt, Nazken K. Kelzhanova, Zharylkasyn A. Abilov, Tariel V. Ghochikyan, Ashot S. Saghiyan, Alexander Villinger, Helmut Reinke, Anke Spannenberg and Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 2,3-dimethoxy-phenethylamine.HCl 相似度:70% Organic Magnetic Resonance 1983 21 391-396 13C NMR spectra and structure of mono-, di- and trimethoxyphenylethylamines and amphetamines Keith Bailey and Donald Legault Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . Koumine C20H22N2O 相似度:70% Journal of the American Chemical Society 1981 103 4634-4635 Structure of koumine Chu-Tsin Liu, Qi-Wen Wang, Chi-Hao Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . rel-(1S,4S,6R)-6-(4-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one C13H15NO2 相似度:69.2% European Journal of Organic Chemistry 2010 3281-3294 Metal-Catalyzed Reactions between 2-Azabicyclo[2.2.1]hept-5-en-3-ones and Arylboronic Acids Takumi Abe, Hiroyuki Takeda, Yumi Takahashi, Yoshihisa Miwa, Koji Yamada and Minoru Ishikura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . rel-(1S,4S,6R)-6-(2-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one C13H15NO2 相似度:69.2% European Journal of Organic Chemistry 2010 3281-3294 Metal-Catalyzed Reactions between 2-Azabicyclo[2.2.1]hept-5-en-3-ones and Arylboronic Acids Takumi Abe, Hiroyuki Takeda, Yumi Takahashi, Yoshihisa Miwa, Koji Yamada and Minoru Ishikura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 2,2,2-Trifluoro-N-[3-(4-phenyl-[1,2,3]triazol-1-yl)-propyl]-acetamide C13H13F3N4O 相似度:66.6% 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 -------------------------------------------------------------------------------- 33 . tert-Butyl 2-(5-chloro-1H-indol-3-yl)-2-(hydroxyamino)-ethylcarbamate 相似度:66.6% Bioorganic & Medicinal Chemistry 2011 19 3204-3215 Synthesis and evaluation of 1-(1H-indol-3-yl)ethanamine derivatives as new antibacterial agents Olga N. Burchak,Emmanuelle Le Pihive, Laure Maigre, Xavier Guinchard , Pascale Bouhours ,Claude Jolivalt, Dominique Schneider , Max Maurin , Carmela Giglione , Thierry Meinnel ,Jean-Marc Paris , Jean-Noël Denis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (3,5-bis-trifluoromethylphenyl)(4-(2-(3,3-dimethylbutylamino)ethyl)piperazin-1-yl)methanone 相似度:66.6% Bioorganic & Medicinal Chemistry 2012 20 1139-1148 4-Aminoethylpiperazinyl aryl ketones with 5-HT1A/5-HT7 selectivity Mi Kyoung Kim,Hyo Seon Lee,Sora Kim,Suh Young Cho,Bryan L. Roth, Youhoon Chong,Hyunah Choo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . N-{[(S)-pyrrolidin-2-yl]methyl}-1,8-naphthalimide C17H17N2O2 相似度:66.6% European Journal of Organic Chemistry 2011 6413-6417 Highly Enantioselective Michael Addition of Ketones to Nitroolefins with a Pyrrolidine-Based Phthalimide as an Enamine-Type Organocatalyst Shu-rong Ban, Hong-yu Xie, Xi-xia Zhu and Qing-shan Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . compound 7 C32H46Br2N4O4 相似度:66.6% Tetrahedron Letters 2012 53 210-213 Pd-catalyzed amination in the synthesis of cyclen-based macrotricycles Sergei M. Kobelev, Alexei D. Averin, Alexei K. Buryak, Franck Denat, Roger Guilard, Irina P. Beletskaya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . compound 21p C18H20ClNO3 相似度:64.2% Canadian Journal of Chemistry 2011 89 1494-1505 Ruthenium-catalyzed [2+2] cycloaddition reactions of a 2-oxa-3-azabicyclo[2.2.1]hept-5-ene with unsymmetrical alkynes Robin Durham, Jérémie Mandel, Nicolas Blanchard, William Tam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 6-Imino-2H,3H,4H,6H,11H-1,3-oxazino[2,3-b]quinazolin-5-ium chloride C11H12ClN3O 相似度:63.6% Molecules 2000 5 1166-1174 One-pot Syntheses of Fused Quinazolines by Reaction of N-(2-Cyanophenyl)chloromethanimidoyl Chloride. I. A New Synthesis of 1, 3-Oxazolo- and 1, 3-Oxazino[2, 3-b]quinazolines Hana Divisova, Helena Havlisova, Petr Borek, and Pavel Pazdera Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 1,12-Diamino-3,4;9,10-dibenzo-13,14-cyclohexo-5,8-dioxacyclobutadecane C22H28N2O2 相似度:63.6% Molecules 2004 9 513-519 Synthesis and Characterisation of Macrocyclic Diamino Chiral Crown Ethers Waldo H. Correa and Janet L. Scott Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 1,15-Diamino-3,4;12,13-dibenzo-16,17-cyclohexo-5,8,11-trioxacyclohexaundecane C24H32N2O 相似度:63.6% Molecules 2004 9 513-519 Synthesis and Characterisation of Macrocyclic Diamino Chiral Crown Ethers Waldo H. Correa and Janet L. Scott Structure 13C NMR 碳谱模拟图 |
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