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yyd7777777鐵蟲 (小有名氣)
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[求助]
微譜數(shù)據(jù)求助——三個化合物 謝謝！
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化合物1 溶劑MeOD 20.51,21.24,31.90,46.23,51.83,52.30,58.74,120.89,121.75,122.65,126.13,127.17,127.79,127.88,128.05,128.08,130.22,135.74,150.27,160.45,162.47,165.50 化合物2 溶劑MeOD 18.10,31.14,32.56,45.61,64.37,80.86,121.93,127.19,128.12,128.13,135.70,150.55,153.99,160.44,162.63 化合物3 溶劑MeOD 20.12,32.30,46.70,49.80,50.20,59.43,119.37,121.47,123.95,125.13,126.67,127.17,127.86,128,130.47,135.88,144.71,150.10,160.80,162.24,165.11 |
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wangkaibo123
榮譽版主 (職業(yè)作家)
kerry
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專家經(jīng)驗: +726 - PhEPI: 3
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【答案】應(yīng)助回帖
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yyd7777777: 金幣+20, ★★★★★最佳答案 2013-07-10 11:49:46
yyd7777777: 金幣+20, ★★★★★最佳答案 2013-07-10 11:49:46
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按從小到大順序輸入，數(shù)字間用英文半角逗號(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 溶劑選項： 匹配容差： (數(shù)字格式，可自行設(shè)定) 相似度： %(相似度>=50%) 查詢結(jié)果：共查到672個化合物(查詢結(jié)果僅供參考) 1 . dipegine C22H20N4O 相似度:63.6% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳譜模擬圖 2 . N-Benzyl-N-isopropyl-N-(1-[5-[(E)-1-methyl-2-phenyl-1-ethenyl]-1,3,4-oxadiazol-2-yl]ethyl)amine C23H27N3O 相似度:61.9% Zeitschrift für Naturforschung B 2011 66 184-190 Four-component Synthesis of 1,3,4-Oxadiazole Derivatives from (N-Isocyanimino)triphenylphosphorane, (E)-Cinnamic Acids, Acetaldehyde and Secondary Amines A. Ramazani, Y. Ahmadi, and F. Z. Nasrabadi Structure 13C NMR 碳譜模擬圖 3 . N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl}-4-nitrobenzamide C24H23N3O3 相似度:61.9% Bioorganic & Medicinal Chemistry 2009 17 2524-2535 Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators Werner Klinkhammer, Henrik Müller, Christoph Globisch, Ilza K. Pajeva, Michael Wiese Structure 13C NMR 碳譜模擬圖 4 . 4-amino-N-{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl] phenyl}benzamide C24H25N3O 相似度:61.9% Bioorganic & Medicinal Chemistry 2009 17 2524-2535 Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators Werner Klinkhammer, Henrik Müller, Christoph Globisch, Ilza K. Pajeva, Michael Wiese Structure 13C NMR 碳譜模擬圖 5 . 2-[4-(benzyloxy)phenyl]-3-(methoxycarbonyl)-4H-benzopyran-4-one C24H18O5 相似度:61.9% Journal of Medicinal Chemistry 1991 34 798-806 Synthesis and protein-tyrosine kinase inhibitory activities of flavonoid analogs Mark Cushman, Dhanapalan Nagarathnam, Debra L. Burg, Robert L. Geahlen Structure 13C NMR 碳譜模擬圖 6 . N-(2-pyridinylmethyl)-10,5-(iminomethano)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene C22H20N2 相似度:61.9% Journal of Medicinal Chemistry 1993 36 1938-1946 10,5-(Iminomethano)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene and derivatives. Potent PCP receptor ligands Kyle R. Gee, Peter Barmettler, Michael R. Rhodes, Robert N. McBurney, N. Laxma Reddy, Lain Yen Hu, Ronald E. Cotter, Philip N. Hamilton, Eckard Weber, John F. W. Keana Structure 13C NMR 碳譜模擬圖 7 . 4'-[4-(1-Benzyl-2-ethyl-4-nitro-1H-imidazol-5-yl)piperazin-1-yl]-3-chloro-[1,1'-biphenyl]-4-ol C28H28ClN5O3 相似度:61.9% Zeitschrift für Naturforschung B 2012 67 925-934 Nitroimidazoles Part 8. Synthesis and Anti-HIV Activity of New 4-Nitroimidazole Derivatives Using the Suzuki Cross-Coupling Reaction Yaseen A. Al-Soud, Najim A. Al-Masoudi, Hossam H. Al-Suod, and Christophe Pannecouque Structure 13C NMR 碳譜模擬圖 8 . dipeginol C22H20N4O2 相似度:59.0% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳譜模擬圖 9 . compound 4b C22H13O6N3 相似度:59.0% Indian Journal of Chemistry 2005 44B 1465-1469 Synthesis and screening of 1,3,4-oxadiazinoindolinone and s-triazole derivatives of pyranobenzopyran Mulwad,V V; Chaskar,A C; Shirodkar,J M Structure 13C NMR 碳譜模擬圖 10 . 6-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-(4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy)-3-chlorophenyl)-1H-indole C26H22N5OCl 相似度:59.0% Heterocycles 2009 79 487-520 Synthesis and Biological Evaluation of Inhibitors of Botulinum Neurotoxin Metalloprotease Chenbo Wang, Julia Widom, Filip Petronijevic, James C. Burnett, Jonathan E. Nuss, Sina Bavari, Rick Gussio, and Peter Wipf Structure 13C NMR 碳譜模擬圖 11 . 8-[(2,5-dichloroisonicotinoyl)amino]-1-(4-fluoro-phenyl)-4,5-dihydro-1H-benzo-[g]indazole-3-carboxamide C24H16Cl2FN5O2 相似度:59.0% Bioorganic & Medicinal Chemistry 2010 18 403-414 Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship Dominique F. Bonafoux, Sheri L. Bonar, Michael Clare, Ann M. Donnelly, Jeanette L. Glaenzer, Julia A. Guzova, He Huang, Nandidni N. Kishore, Francis J. Koszyk, Patrick J. Lennon, Adam Libby, Sumathy Mathialagan, David S. Oburn, Sharon A Rouw, Cynthia D. S Structure 13C NMR 碳譜模擬圖 12 . 2-(5-tert-butyl-2-(tert-butyldiphenylsilyloxy)benzyl)-4-tert-butylphenol C37H46O2Si 相似度:59.0% Tetrahedron 2012 68 10030-10039 Synthetic approaches to mixed ligand chelators on tert-butylphenol–formaldehyde oligomer (PFO) platforms Jennifer A. Young, Sukhen Karmakar, Hollie K. Jacobs, Aravamudan S. Gopalan Structure 13C NMR 碳譜模擬圖 13 . 2-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-1,3(2H,4H)-isoquinolinedione hydrochloride hydrate C24H26N4O2S 相似度:59.0% 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 碳譜模擬圖 14 . 3,5-bis(4-methoxybenzyl)-2-phenyl-3H-imidazo[4,5-c]quinolin-5-ium C32H28N3O2 相似度:57.6% Bioorganic & Medicinal Chemistry 2011 19 3801-3811 Preliminary evaluation of a 3H imidazoquinoline library as dual TLR7/TLR8 antagonists Nikunj M. Shukla, Subbalakshmi S. Malladi, Victor Day, Sunil A. David Structure 13C NMR 碳譜模擬圖 15 . trigonostemonine E C21H17N3O 相似度:57.1% Planta Medica 2009 75 1157-1161 Carboline Alkaloids from Trigonostemon lii Xu-Jia Hu, Ying-Tong Di, Yue-HuWang, Ling-Yi Kong, Suo Gao, Chun-Shun Li, Hai-Yang Liu, Hong-Ping He,Jian Ding, Hua Xie, Xiao-Jiang Hao Structure 13C NMR 碳譜模擬圖 16 . compound 7 相似度:57.1% Chinese Chemical Letters 2008 19 29-22 Synthesis andin vitro cytotoxicity of novel 1,4-disubstituted phthalazines Xin Zhai，Juan L i, Le I H e,Su Z heng，YaoB inZ hang，PingG ong Structure 13C NMR 碳譜模擬圖 17 . 1,3-Bis[o-(N-methylidenamino-3-p-tolyl-5-phenyl-4H-1,2,4-triazole-4-yl)-phenoxy]propane C47H40N8O2 相似度:57.1% Molecules 2006 11 469-477 Synthesis of New Bis-1, 2, 4-Triazole Derivatives Olcay Bekircan and Hakan Bektas Structure 13C NMR 碳譜模擬圖 18 . α-N-Fmoc-(αS)-β-(6'-Hydroxy-2'-naphthoyl)alanine C29H23NO6 相似度:57.1% Molecules 2007 12 1170-1182 Stereoselective Syntheses of Fluorescent Non-Natural Aromatic Amino Acids Based on Asymmetric Michael Additions Heru Chen, Xianbin Zhong and Jin Wei Structure 13C NMR 碳譜模擬圖 19 . 6a,7-dehydro-1,2-di-methoxy-7-hydroxy-N-methylaporphine 相似度:57.1% Fitoterapia 1999 70 157-160 Aporphine alkaloids from Enantia chlorantha Pascal Wafo, Barthelemy Nyasse, Catherine Fontaine,Beibam L. Sondengam Structure 13C NMR 碳譜模擬圖 20 . 4-amino-2-(quinolin-2-yl)quinazoline 相似度:57.1% Journal of Heterocyclic Chemistry 2009 46 1425-1429 An efficient method to prepare 4-aminoquinazolines: Potential application to conformation-restricted bleomycin analogs Zhonglin Wei,Lianyou Zheng,Qun Dang and Xu Bai Structure 13C NMR 碳譜模擬圖 21 . 1,4-dibenzyl-3-(4-hydroxy-butyl)-piperazine-2,5-dione C22H26N2O3 相似度:57.1% Journal of Heterocyclic Chemistry 2008 45 765-772 Studies towards the synthesis of bicyclomycin precursors: Synthesis of N,N'-disubstituted 2,5-diketopiperazines in solution and on solid phase Anna Fryszkowska and Ryszard Ostaszewski Structure 13C NMR 碳譜模擬圖 22 . N-[4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrim-ido[1,2-a]benzimidazol-3-yl]benzamide C23H18N4O3 相似度:57.1% Journal of Heterocyclic Chemistry 2008 45 1299-1303 A rapid and efficient method for synthesis of pyrimido[1,2-a]-benzimidazole derivatives under microwave irradiation Qiya Zhuang,Chunmei Li,Shujiang Tu,Longji Cao,Dianxiang Zhou,Qingqing Shao and Cheng Guo Structure 13C NMR 碳譜模擬圖 |
5樓2013-07-10 11:35:33
wangkaibo123
榮譽版主 (職業(yè)作家)
kerry
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專家經(jīng)驗: +726 - PhEPI: 3
- 應(yīng)助: 1928 (講師)
- 貴賓: 0.598
- 金幣: 7869.1
- 散金: 10156
- 紅花: 100
- 帖子: 3780
- 在線: 1007.1小時
- 蟲號: 2088618
- 注冊: 2012-10-26
- 性別: GG
- 專業(yè): 抗腫瘤藥物藥理
- 管轄: 藥學(xué)
【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +1
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第一個 按從小到大順序輸入，數(shù)字間用英文半角逗號(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 溶劑選項： 匹配容差： (數(shù)字格式，可自行設(shè)定) 相似度： %(相似度>=50%) 查詢結(jié)果：共查到951個化合物(查詢結(jié)果僅供參考) 1 . dipegine C22H20N4O 相似度:77.2% Chemistry of Natural Compounds 2000 36 602-605 ALKALOIDS OF Peganum harmala M. F. Faskhutdinov, M. V. Telezhenetskaya,M. G. Levkovich, and N. D. Abdullaev Structure 13C NMR 碳譜模擬圖 2 . acetic acid 2-(4-acetoxy-phenyl)-3-phenyl-chroman-4-yl ester 相似度:63.6% Bioorganic & Medicinal Chemistry 2009 17 6832-6840 Synthesis and biological evaluation of 2,3,4-triarylbenzopyran derivatives as SERM and therapeutic agent for breast cancer Shailesh Kumar, Shreekant Deshpande, Vishal Chandra, Shakti Kitchlu, Anila Dwivedi, Vadithe Lakshma Nayak, Rituraj Konwar, Yenamandra S. Prabhakar, Devi Prasad Sahu Structure 13C NMR 碳譜模擬圖 3 . Dimethyl-4b,10b-dihydrobenzo[5,6]cyclopropa[3,4]pentaleno[1,2-a]naphthalene-4c,10d-dicarboxylate C24H18O4 相似度:62.5% Canadian Journal of Chemistry 2009 87 619-626 Controlling the regioselectivity of the di-p-methane rearrangements of 1,2-naphtho-annelated barrelene derivatives -Solution versus solid-state photochemistry Jia Luo, Heiko Ihmels, Hans-Jo¨ rg Deiseroth, and Marc Schlosser Structure 13C NMR 碳譜模擬圖 4 . 5,6-dimethyl-1-(naphthalen-1-ylmethyl)-2-(pyridin-4-yl)-1H-benzo[d]imidazole C25H21N3 相似度:60.8% Molecules 2013 18 3972-4001 Design, Synthesis, Binding and Docking-Based 3D-QSAR Studies of 2-Pyridylbenzimidazoles—A New Family of High Affinity CB1 Cannabinoid Ligands Jaime A. Mella-Raipán, Carlos F. Lagos, Gonzalo Recabarren-Gajardo, Christian Espinosa-Bustos, Javier Romero-Parra, Hernán Pessoa-Mahana, Patricio Iturriaga-Vásquez and Carlos David Pessoa-Mahana Structure 13C NMR 碳譜模擬圖 5 . salviamine D C22H19NO5 相似度:59.0% Journal of Natural Products 2006 69(1) 93-96 Abietane Diterpene Alkaloids from Salvia Yunnanensis Fu-Wen Lin, Amooru G. Damu, and Tian-Shung Wu Structure 13C NMR 碳譜模擬圖 6 . 5-Ethyl-6-(2-methylbenzyl)-1-{[(3-phenylprop-2-ynyl)oxy]methyl}uracil C24H24N2O3 相似度:59.0% Helvetica Chimica Acta 2009 92 1385-1403 Synthesis and Anti-HIV-1 Evaluation of New Sonogashira-Modified Emivirine (MKC-442) Analogues Krzysztof Danel, Per T. Jørgensen, Erik B. Pedersen, Paolo La Colla, Gabriella Collu, Roberta Loddo Structure 13C NMR 碳譜模擬圖 7 . compound 4c C30H25NO4 相似度:59.0% Bioorganic & Medicinal Chemistry Letters 2011 21 977-979 Biological evaluation of KRIBB3 analogs as a microtubule polymerization inhibitor Sangku Lee, Jae Nyoung Kim, Hyeong Kyu Lee, Kab Seog Yoon, Ki Deok Shin,Byoung-Mog Kwon, Dong Cho Han Structure 13C NMR 碳譜模擬圖 8 . compound 11S 相似度:59.0% Canadian Journal of Chemistry 2006 84 1487-1503 An examination of VANOL, VAPOL, and VAPOL derivatives as ligands for asymmetric catalytic Diels-Alder reactions1 Douglas P. Heller, Daniel R. Goldberg, Hongqiao Wu, and William D. Wulff Structure 13C NMR 碳譜模擬圖 9 . (Z)-3-(2,3-dihydro-2-phenylbenzo[1,4]thiazepin-4(5H)-ylidene)chroman-2-one C24H19NO2S 相似度:59.0% Journal of Heterocyclic Chemistry 2007 44 1453-1458 Synthesis of benzo[1,4]thiazepines by the reaction of 3-aryl-1-(3-coumarinyl)propen-1-ones with 2-aminothiophenol Albert Lévai,József Jekő,Tímea Gondos,András Simon and Gábor Tóth Structure 13C NMR 碳譜模擬圖 10 . dimethyl(2-{[(1-methyl-1H-dibenzo[2,3:6,7]oxepino[4,5-d]imidazol-2-yl)methyl]oxy}ethyl)amine C21H23N3O2 相似度:59.0% 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 碳譜模擬圖 11 . Compound 9a 相似度:59.0% Bioorganic & Medicinal Chemistry Letters 2000 10 171-174 The use of power ultrasound coupled with magnetic separation for the solid phase synthesis of compound libraries J. Manuel Perez, Eric J. Wilhelm, Irving Sucholeiki Structure 13C NMR 碳譜模擬圖 12 . Isopropyl 4-(1-benzyl-1H-indazol-3-yl)benzoate C24H22N2O2 相似度:59.0% Bioorganic & Medicinal Chemistry 2008 16 1262-1278 Synthesis and antiplatelet activity of ethyl 4-(1-benzyl-1H-indazol-3-yl)benzoate (YD-3) derivatives Hua-Sin Chen, Sheng-Chu Kuo, Che-Ming Teng, Fang-Yu Lee, Jih-Pyang Wang, Yu-Chun Lee, Chiung-Wen Kuo, Ching-Che Huang, Chin-Chung Wu, Li-Jiau Huang Structure 13C NMR 碳譜模擬圖 13 . Compound 9 相似度:59.0% Magnetic Resonance in Chemistry 2002 40 461-466 1H and 13C NMR assignments of new oligo-bipyridine–phenanthroline hybrids as potential precursors of helicate complexes Rita Annunziata, Maurizio Benaglia and Alberto Bologna Structure 13C NMR 碳譜模擬圖 14 . 2-[2,4-Dihydro-4-(4-methylphenyl)-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C24H17N3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳譜模擬圖 15 . 2-[4-(4-Chlorophenyl)-2,4-dihydro-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C23H14ClN3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳譜模擬圖 16 . 2-[2,4-Dihydro-4-(3-methylphenyl)-3-phenyl-1,2,4-triazol-5-ylidene]indane-1,3-dione C24H17N3O2 相似度:59.0% Zeitschrift für Naturforschung B 2006 61 1239-1242 Amidrazones in the Synthesis of 1H-1,2,4-Triazoles A. A. Aly, M. A.-M. Gomaa, A. M. NourEl-Din, and M. S. Fahmi Structure 13C NMR 碳譜模擬圖 17 . Ethyl 1-Benzyl-2-p-tolyl-1H-indole-3-carboxylate C25H23NO2 相似度:59.0% European Journal of Organic Chemistry 2012 2549-2559 A General Synthesis of Indole-3-carboxylic Esters by Palladium-Catalyzed Direct Oxidative Carbonylation of 2-Alkynylaniline Derivatives Bartolo Gabriele, Lucia Veltri, Raffaella Mancuso, Giuseppe Salerno and Mirco Costa Structure 13C NMR 碳譜模擬圖 18 . (R,S)-N-[2-benzoyl-4-(N',N'-diisopropylureido)phenyl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide 相似度:59.0% Bioorganic & Medicinal Chemistry 2009 17 7690-7697 Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a 2,5-diaminobenzophenone Mirko Altenkämper, Benjamin Bechem, Johann Perruchon, Swetlana Heinrich, Andrea Mädel, Regina Ortmann, Hans-Martin Dahse, Ellen Freunscht, Yulin Wang, Jennifer Rath, August Stich, Manuela Hitzler, Peter Chiba, Michael Lanzer, Martin Schlitzer Structure 13C NMR 碳譜模擬圖 19 . (3R,4R)-3-{[(1S,3R,4R,6R)-4-bromo-3,7,7-trimethylbicyclo[4.1.0]hept-3-yl]oxy}-1-(chrysen-6-yl)-4-phenylazetidin-2-one 相似度:59.0% Helvetica Chimica Acta 2011 94 2188-2193 An Efficient Synthesis of Optically Active trans-(3R,4R)-3-Acetoxy-4-aryl-1-(chrysen-6-yl)azetidin-2-ones Using (+)-Car-3-ene as a Chiral Auxiliary (pages 2188–2193) Aarif L. Shaikh, Orlando Esparza and Bimal K. Banik Structure 13C NMR 碳譜模擬圖 20 . (E)-N-benzyl-3-phenyl-1-(pyridin-2-yl)prop-2-en-1-amine C21H20N2 相似度:59.0% Heterocycles 2012 85 1655-1669 Studies on the Petasis Reaction of 2-Pyridinecarbaldehyde Derivatives and Its Products Hiroki Mandai,* Kyouta Murota, and Seiji Suga Structure 13C NMR 碳譜模擬圖 21 . 10-methyl-6-(4-methylphenyl)-6,7-dihydro-4H-indolo[3,4-cd][1]benzazepine C23H20N2 相似度:59.0% European Journal of Organic Chemistry 2010 5108-5117 Water-Accelerated Cationic π-(7-endo) Cyclisation: Application to Indole-Based Peri-Annulated Polyheterocycles Mohammad Saifuddin, Piyush K. Agarwal, Sudhir K. Sharma, Anil K. Mandadapu, Sahaj Gupta, Vimal K. Harit and Bijoy Kundu Structure 13C NMR 碳譜模擬圖 22 . 8-methyl-12-phenyl-5,6-dihydro-4bH-isoquino[2,1-a]quinazolin-6-one C23H20N2O 相似度:59.0% European Journal of Organic Chemistry 2010 1999-2007 Facile Assembly of Fused Isoquinolines by Gold(I)-Catalyzed Coupling–Cyclization Reactions between o-Alkynylbenzaldehydes and Aromatic Amines Containing Tethered Nucleophiles Nitin T. Patil, Anil Kumar Mutyala, Pediredla G. V. V. Lakshmi, Penmatcha V. K. Raju and Balasubramanian Sridhar Structure 13C NMR 碳譜模擬圖 |
2樓2013-07-09 21:47:45
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3樓2013-07-10 11:26:11
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按從小到大順序輸入，數(shù)字間用英文半角逗號(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 溶劑選項： 匹配容差： (數(shù)字格式，可自行設(shè)定) 相似度： %(相似度>=50%) 查詢結(jié)果：共查到86個化合物(查詢結(jié)果僅供參考) 1 . 1-Methyl-3-(benzyl)-1H,3H-quinazoline-2,4-dione 相似度:60% Molecules 2009 14 1860-1868 Alkylation of 2, 4-(1H, 3H)-Quinazolinediones with Dialkyl Carbonates Under Microwave Irradiations Ignacio Alfredo Rivero, Leticia Guerrero, Karla Alejandra Espinoza, Martha Cecilia Meza and Jesús Ramón Rodríguez Structure 13C NMR 碳譜模擬圖 2 . 1-phenyl-6-pyridin-4-ylpiperidin-2-one C16H16N2O 相似度:60% Heterocycles 2004 63 1027-1044 Palladium-catalyzed Cyclocarbonylation of Unsaturated Alcohols and Amines. Chemoselective Synthesis of Heterocycle-substituted γ- and δ-Lactones and Lactams Catia Granito, Luigino Troisi,* and Ludovico Ronzini Structure 13C NMR 碳譜模擬圖 3 . (E)-N-benzylidene-3-tert-butyl-1-phenyl-1H-pyrazol-5-amine 相似度:60% European Journal of Organic Chemistry 2010 6454-6463 An Efficient Synthesis of 7-(Arylmethyl)-3-tert-butyl-1-phenyl-6,7-dihydro-1H,4H-pyrazolo[3,4-d][1,3]oxazines Rodrigo Abonia, Juan Castillo, Braulio Insuasty, Jairo Quiroga, Manuel Nogueras and Justo Cobo Structure 13C NMR 碳譜模擬圖 4 . 3-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,4-dihydroquinazoline-4-one C15H19N3O 相似度:60% Tetrahedron 2013 69 1705-1711 The unambiguous synthesis and NMR assignment of 4-alkoxy and 3-alkylquinazolines Marcel Špulák, Zdeněk Novák, Karel Palát, Jiří Kuneš, Jana Pourová, Milan Pour Structure 13C NMR 碳譜模擬圖 5 . 3-(N4-[(Benzyloxy)carbonyl]-1-{[(tert-butoxy)carbonyl]methyl}cytosin-6-yl)propanoic Acid C21H25N3O7 相似度:56.2% Helvetica Chimica Acta 2009 92 1134-1166 Oligonucleotide Analogues with Integrated Bases and Backbone. Part 20 : Hydrazide- and Amide-Linked Analogues. 1. Design and Synthesis of Monomeric Building Blocks Manuel Peifer, Fabio De Giacomo, Martin Schandl, Andrea Vasella Structure 13C NMR 碳譜模擬圖 6 . 3-Benzyl-4-(3-ethoxy-4-hydroxybenzylidenamino)-4,5-dihydro-1H-1,2,4-triazol-5-one C18H18N4O3 相似度:56.2% Molecules 2005 10 961-970 Synthesis and Non-Aqueous Medium Titrations of Some New 4-Benzylidenamino-4, 5-dihydro-1H-1, 2, 4-triazol-5-one Derivatives Haydar Yüksek, Osman ücüncü, Muzaffer Alkan, Zafer Ocak and Sule Bahceci Structure 13C NMR 碳譜模擬圖 7 . trans-l,2-Bis[4-(5-N-isopropylamidino-2-benzanidazolyl)phenyl]ethene hydrochloride C36H40N8C14 相似度:53.3% Molecules 2004 9 158-163 The Synthesis of Dicationic Extended Bis-Benzimidazoles Zhijan Kang, Christine C. Dykstra and David W. Boykin Structure 13C NMR 碳譜模擬圖 8 . 1-Ethyl-3-(benzyl)-1H,3H-quinazoline-2,4-dione 相似度:53.3% Molecules 2009 14 1860-1868 Alkylation of 2, 4-(1H, 3H)-Quinazolinediones with Dialkyl Carbonates Under Microwave Irradiations Ignacio Alfredo Rivero, Leticia Guerrero, Karla Alejandra Espinoza, Martha Cecilia Meza and Jesús Ramón Rodríguez Structure 13C NMR 碳譜模擬圖 9 . (1S,2aS,9bS)-1,2,2a,3,4,9b-hexahydro-1-methyl-3-oxocyclobuta[d] [1]benzoxepine-1-carbonitrile 相似度:53.3% Helvetica Chimica Acta 2011 94 768-772 Synthesis of trans-Fused Oxabicyclo[5.2.0]nonan-2-ones via [2+2] Photocycloaddition of Oxepinones to Conjugated Alkenes Kerstin Schmidt and Paul Margaretha Structure 13C NMR 碳譜模擬圖 10 . 2,6-Di-tert-butyl-4-[(E)-2-(3,5-di-tert-butyl-4-methoxyphenylethenyl)]phenol C31H46O2 相似度:53.3% Bioorganic & Medicinal Chemistry 2011 19 339-351 New hydroxystilbenoid derivatives endowed with neuroprotective activity and devoid of interference with estrogen and aryl hydrocarbon receptor-mediated transcription Carolina Villalonga-Barber, Aggeliki K. Meligova, Xanthippi Alexi, Barry R. Steele,Constantinos E. Kouzinos, Constantinos G. Screttas, Efrosini S. Katsanou,Maria Micha-Screttas, Michael N. Alexis Structure 13C NMR 碳譜模擬圖 11 . 1,14-Di-(methoxycarbonyl)-1,2,13,14-dinaphthaleno-3,12-dioxa-6,9-dithiatetradeca-1,13-diene C30H30S2O6 相似度:53.3% Zeitschrift für Naturforschung B 2005 60b 891-900 A Convenient Synthesis of Novel 20-, 23-, and 26-Membered Macrocyclic Oxathiadibenzo-and Oxathiadinaphthalenocrown Ethers, Part 1 Muhammad Ashram Structure 13C NMR 碳譜模擬圖 12 . (Z)-4-(2-Amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-phenyl-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one C17H15N5O2 相似度:53.3% Bioorganic & Medicinal Chemistry 2012 20 1475-1481 Synthesis and evaluation of debromohymenialdisine-derived Chk2 inhibitors Rahman Shah Zaib Saleem,Theresa A. Lansdell,Jetze J. Tepe Structure 13C NMR 碳譜模擬圖 13 . 5-[benzyl(ethyl)amino]-3-oxo-2,3-dihydropyridazine-4-carbonitrile C14H14N4O 相似度:53.3% Chemical & Pharmaceutical Bulletin 2010 58 964-970 Synthesis of ortho-Functionalized 4-Aminomethylpyridazines as Substrate-Like Semicarbazide-Sensitive Amine Oxidase Inhibitors Norbert Haider, Iris Hochholdinger, Péter Mátyus and Andrea Wobus Structure 13C NMR 碳譜模擬圖 14 . 4-amino-3-(4-chlorobenzyl)-1-{[5-(benzylamino)-1,3,4-oxazol-2-yl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one C19H18ClN7O2 相似度:53.3% Journal of Heterocyclic Chemistry 2007 44 1271-1280 Synthesis of some new five membered heterocycles,a facile synthesis of oxazolidinones Ahmet Demirbas,Sule Ceylan and Neslihan Demirbas Structure 13C NMR 碳譜模擬圖 15 . compound 21 C17H18N4OS 相似度:53.3% Journal of Heterocyclic Chemistry 2005 42 743-749 New C(2)-substituted 8-alkylsulfanyl-9-phenylmethyl-hypoxanthines III Giuliana Biagi,Irene Giorgi,Oreste Livi,Federica Pacchini,Valerio Scartoni and Oreste Leroy Salerni Structure 13C NMR 碳譜模擬圖 16 . 5-benzylthio-2-methylthio-6,7,8,9-tetrahydro-1,2,4-triazolo-[5,1-b]quinazoline C17H18N4S2 相似度:53.3% Journal of Heterocyclic Chemistry 2001 38 237-252 On triazoles XLII . A new convenient method for the N-alkylation of highly insoluble cyclic amides GáBor Berecz and JóZsef Reiter Structure 13C NMR 碳譜模擬圖 17 . compound 3g 相似度:53.3% Journal of Heterocyclic Chemistry 2000 37 675-680 A convenient preparation of 1,3-disubstituted dihydro-2,4-(1H,3H)pyrimidinediones L. M. Deck and E. P. Papadopoulos Structure 13C NMR 碳譜模擬圖 18 . compound 3h 相似度:53.3% Journal of Heterocyclic Chemistry 2000 37 675-680 A convenient preparation of 1,3-disubstituted dihydro-2,4-(1H,3H)pyrimidinediones L. M. Deck and E. P. Papadopoulos Structure 13C NMR 碳譜模擬圖 |
4樓2013-07-10 11:33:09
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