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wushuai2255木虫 (小有名气)
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[求助]
求微谱数据库50%相似度以上结构与文献--一个化合物
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碳谱数据如下： 173.2；170.1；167.6；132.0；130.7；128.6；72.9；65.4；62.2；51.7；42.8；30.3；18.9；13.7；13.5 谢谢！ |
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kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
- 散金: 35
- 红花: 11
- 帖子: 1593
- 在线: 471.9小时
- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
2楼2012-06-11 12:38:22
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
- 散金: 35
- 红花: 11
- 帖子: 1593
- 在线: 471.9小时
- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
wushuai2255: 金币+15, ★★★★★最佳答案 2012-06-12 15:54:31
感谢参与，应助指数 +1
wushuai2255: 金币+15, ★★★★★最佳答案 2012-06-12 15:54:31
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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 13.5,13.7,18.9,30.3,42.8,51.7,62.2,65.4,72.9,128.6,130.7,132.0,167.6,170.1,173.2 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 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57个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . Ethyl 4-[(1E)-3-Butoxy-3-oxoprop-1-en-1-yl]benzoate C16H20O4 相似度:66.6% Helvetica Chimica Acta 2011 94 966-975 Palladium Nanoparticles on Graphite Oxide as Catalyst for Suzuki-Miyaura,Mizoroki-Heck, and Sonogashira Reactions Luigi Rumi, Gil M. Scheuermann, Rolf M lhaupt, and Willi Bannwarth Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . n-butyl phthalate 相似度:60% Marine drugs 2009 7 341-354 A Marine Sulfate-Reducing Bacterium Producing Multiple Antibiotics: Biological and Chemical Investigation Yi Zhang,Jun Mu,Xiaojie Gu,Chenyan Zhao,Xiaoliang Wang and Zeping Xie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . dibutyl 5,7,12,15-tetramethyl-16-oxo-6,16-dithiatetracyclo[11.2.1.0(1,11).0(4,8)]hexadeca-1:11,4,7-tri-ene-12,14-dicarboxylate C28H39NO5S2 相似度:60% Heterocycles 2000 52 1215-1230 Oxidative Cycloaddition of Molecules with Multiple Thiophene Cores Thies Thiemann,* Yuanqiang Li, Carolin Thiemann, Tsuyoshi Sawada, Daisuke Ohira, Masashi Tashiro, and Shuntaro Mataka* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . phthalic acid butyl isobutyl ester 相似度:60% Natural Product Research and Development 2009 21 916-918 Studies on the Secondary Metabolites of Endophytic Fungus Epicoccum sp. Isolated from Azadirachta indica WANG Li-dong; WU Shao-hua; CHEN You-wei; YU Ying; YANG Li-yuan; LI Shao-lan; LI Zhi-ying Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . compound 1 C15H20N2O3S2 相似度:60% The Journal of Antibiotics 2003 56 647-651 New Diketopiperazines from the Entomopathogenic Fungus Verticillium hemipterigenum BCC 1449 CHONGDEE NILANONTA,MASAHIKO ISAKA,PRASAT KITTAKOOP,JUNYA SAENBOONRUENG,VATCHARIN RUKACHAISIRIKUL,PALANGPON KONGSAEREE and YODHATHAI THEBTARANONTH Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . compound 7a C18H23NO3Se 相似度:56.2% Tetrahedron Letters 2004 45 5983-5986 Diastereoselective synthesis of homologous bicyclic lactams--potential building blocks for peptide mimics Bernhard Westermann, Nicole Diedrichs, Ralf Krelaus, Armin Walter, Ina Gedrath Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (2S,3S)-N-[3-Benzyl-1-(2-hydroxyl-1-methyl-ethyl)-2-oxopyrrolidin-3-yl]-benzene-sulfonamide C20H24N2O4S 相似度:56.2% Bioorganic & Medicinal Chemistry 1998 6 2477-2494 Structure-based design, synthesis and evaluation of conformationally constrained cysteine protease inhibitors Karl A. Scheidt, William R. Roush, James H. McKerrow, Paul M. Selzer, Elizabeth Hansell, Philip J. Rosenthal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . [(2R,4S)-3-benzoyl-4-benzyl-2-isopropyl-5-oxo-oxazolidin-4-yl]acetic acid ethyl ester C24H27NO5 相似度:55% Heterocycles 2005 65 59-75 3-Benzoyl-2-isopropyl-4-alkyloxazolidin-5-ones as Efficient and Inexpensive Sources of Enantiopure α,α-Dialkyl α-Amino Acids and α,β-Dialkyl α,β-Diaminopropionic Acids Susana Rojas-Lima,* Omar Téllez-Zenteno, Heraclio López-Ruiz, Lizeth Loubet-González, and Alejandro Alvarez-Hernandez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . cyclopropanes XXIIa 相似度:53.3% Chemistry of Natural Compounds 1989 25 231-236 13C NMR SPECTRA OF BIOLOGICALLY ACTIVE COMPOUNDS. Vll. STEREOISOMERS OF CYCLOPROPANECARBOXYLIC ESTERS OF THE PYRETHROID SERIES L. M. Khalilov, A. A. Fatykhov,V. S. Sultanova, F. Z. Makaev,F. Z. Galin, G. A. Tolstikov, and A. A. Panasenko Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . tributyl citrate C18H32O7 相似度:53.3% Chemistry of Natural Compounds 1989 25 289-292 CHEMICAL INVESTIGATION OF THE BITTER SUBSTANCES OF THE FRUIT OF Lonicera caerulea A. L. Vereshchagin, E. V. Anikina,A. I. Syrchina, M. F. Lapin,L. A. Azin, and A. A. Semenov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . E-2,3-diphenylpropenoate C19H20O2 相似度:53.3% Molecules 2004 9 256-263 Preparation of New 2, 3-Diphenylpropenoic Acid Esters – Good Yields Even for the More Hindered Z Isomers László Boros, Károly Felföldi and István Pálinkó Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . phthalic acid,butyl isobuty ester 相似度:53.3% China Journal of Chinese Materia Medica 2007 32 1295-1298 Studies on Chemical Constituents of Phlomis medicinalis II YU Zhenxi, WANG Gangli, DAI Zhong, BLANBA Ciren, LIN Ruichao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (Z)-3-(ethoxycarbonylmethoxy)-3-phenylprop-2-enenitrile C13H13NO3 相似度:53.3% Organic letters 2000 2 2061-2063 Preparation of 5-Substituted 3-Aminofuran-2-carboxylate Esters Anikó M. Redman, Jacques Dumas, and William J. Scott Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . tert-butyl methyl 2-(2-nitrophenyl)-3-oxohexane-dioate 相似度:53.3% Journal of Heterocyclic Chemistry 2009 46 172-177 1,2,3,9-Tetrahydro-4H-carbazol-4-one and 8,9-dihydropyrido-[1,2-a]indol-6(7H)-one from 1H-indole-2-butanoic acid Richard A. Bunce and Baskar Nammalwar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 4-hydroxy-2-methyl-5-oxo-3-(1-phenylallyl)-2,5-dihydrofuran-2-carboxylic acdi ethyl ester C17H18O5 相似度:53.3% Heterocycles 2010 81 1485-1491 A Synthesis of β-Allyl Substituted Isotetronic Acid Derivatives via Thermal Claisen Rearrangement Xiaping Ma, Zhiming Li, and Quanrui Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . (4S,5R)-5-azidomethyl-1-tert-butoxycarbonyl-4-(tert-butyldiphenylsilyloxy)pyrrolidin-2-one C26H34N4O4Si 相似度:53.3% Heterocycles 2006 68 183-192 A Stereocontrolled Formal Asymmetric Synthesis of Pseudodistomin C Ken-ichi Tanaka,* Takuya Maesoba, and Hiroyuki Sawanishi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . (±)-benzyl 3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)propanoate C19H18N2O4 相似度:53.3% Heterocycles 2003 60 2023-2044 Approach to the Synthesis of (+)-Ifforestine. Model Studies Directed at the Tetracyclic Framework Gregory H. P. Roos* and Kim A. Dastlik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . compound 10 C16H21NO3 相似度:53.3% Tetrahedron Letters 2002 43 3471-3474 A short and convenient synthesis of chiral heterocyclic β-enamino esters from halogeno acetylenic esters Olivier David, Marie-Claude Fargeau-Bellassoued, Gérard Lhommet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . compound 2b 相似度:53.3% Tetrahedron Letters 2003 44 8449-8452 Dihydropyridine-based MCRs. New reaction pathways in the interaction with ethyl glyoxalate and non-aromatic amines Inés Carranco, José Luis Dı́az, Oscar Jiménez, Rodolfo Lavilla Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . compound 7 C16H24O6 相似度:53.3% Tetrahedron Letters 2004 45 8461-8463 An asymmetric dihydroxylation route to (2S,3S)-3-hydroxypipecolic acid Mandar S. Bodas, Pradeep Kumar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . phthalic acid,butyl isobutyl ester 相似度:53.3% Chinese Pharmaceutical Journal 2007 42 1295-1298 Studies on Chemical Constituents of Phlomis medicinalis Ⅱ YU Zhen-xi, WANG Gang-li, DAI Zhong, BIANBA Ci-ren, LIN Rui-chao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Ethyl 4-(3-bromophenyl)-2-methyl-3-oxo-butyrate 相似度:53.3% Archiv der Pharmazie 2007 340 225-235 Synthesis and Anti-HIV-1 Activity of New MKC-442 Analogues with an Alkynyl-Substituted 6-Benzyl Group* Youssef L. Aly, Erik B. Pedersen, Paolo La Colla and Roberta Loddo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . (2S,3S)-2-(3-Benzyl-3-methylsulfonylamino-2-oxo-pyrrolidin-1-yl)-propionic acid methyl ester C16H22N2O4S 相似度:53.3% Bioorganic & Medicinal Chemistry 1998 6 2477-2494 Structure-based design, synthesis and evaluation of conformationally constrained cysteine protease inhibitors Karl A. Scheidt, William R. Roush, James H. McKerrow, Paul M. Selzer, Elizabeth Hansell, Philip J. Rosenthal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (2S,3S)-N-[3-Benzyl-1-(2-hydroxyl-1-methyl-ethyl)-2-oxopyrrolidin-3-yl]-methane-sulfonamide C15H20N2O4S 相似度:53.3% Bioorganic & Medicinal Chemistry 1998 6 2477-2494 Structure-based design, synthesis and evaluation of conformationally constrained cysteine protease inhibitors Karl A. Scheidt, William R. Roush, James H. McKerrow, Paul M. Selzer, Elizabeth Hansell, Philip J. Rosenthal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . (E,3S,5R)-7-(methoxycarbonyl)-5-hydroxy-3-methylhept-6-enyl benzoate C16H18O4 相似度:53.3% Bioorganic & Medicinal Chemistry 2010 18 2515-2523 Enhancement of antiproliferative activity by molecular simplification of catalpol Celina García, Leticia G. León, Carlos R. Pungitore, Carla Ríos-Luci, Antonio H. Daranas, Juan C. Montero, Atanasio Pandiella, Carlos E. Tonn, Víctor S. Martín, José M. Padrón Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (E,3R,5R)-7-(methoxycarbonyl)-5-hydroxy-3-methylhept-6-enyl benzoate C10H16O3 相似度:53.3% Bioorganic & Medicinal Chemistry 2010 18 2515-2523 Enhancement of antiproliferative activity by molecular simplification of catalpol Celina García, Leticia G. León, Carlos R. Pungitore, Carla Ríos-Luci, Antonio H. Daranas, Juan C. Montero, Atanasio Pandiella, Carlos E. Tonn, Víctor S. Martín, José M. Padrón Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (S)-ethyl 3-tert-butyldiphenylsilanyloxy-2-hydroxypropanoate C21H28O4Si 相似度:53.3% The Journal of Organic Chemistry 2008 73 7616-7624 Total Synthesis and Proof of Relative Stereochemistry of (−  -AureonitolPeter J. Jervis and Liam R. Cox Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . (S,E)-methyl 4-(benzylideneamino)-5-(diethylamino)-5-oxopentanoate 相似度:53.3% Tetrahedron 2012 68 2579-2589 Electroreductive five- and six-membered cyclization of aromatic β- and γ-imino esters derived from (S)-aspartic acid and (S)-glutamic acid Yosei Takenaga, Yujiro Umesaki, Toshihiko Sakurai, Naoki Kise Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . methyl 5-lactylshikimate lactone 3-acetate 相似度:53.3% Agricultural and Biological Chemistry 1985 49 167-169 A New Shikimate Derivative, Methyl 5-Lactyl Shikimate Lactone, from Penicillium sp. Akira ISOGAI, Masayoshi WASHIZU, Shigeo MURAKOSHI, Akinori SUZUKI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . Methyl 2-[(2S,4S)-4-isopropyl-3-tosyloxazolidin-2-yl]acetate C16H23NO5S 相似度:53.3% Molecules 2011 16 3802-3825 Diversity-Oriented Synthesis Based on the DPPP-Catalyzed Mixed Double-Michael Reactions of Electron-Deficient Acetylenes and β-Amino Alcohols Yi Chiao Fan and Ohyun Kwon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Ethyl 2-[(2S,4S)-4-isopropyl-3-tosyloxazolidin-2-yl]acetate C17H25NO5S 相似度:53.3% Molecules 2011 16 3802-3825 Diversity-Oriented Synthesis Based on the DPPP-Catalyzed Mixed Double-Michael Reactions of Electron-Deficient Acetylenes and β-Amino Alcohols Yi Chiao Fan and Ohyun Kwon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . Compound 4 相似度:52.9% Magnetic Resonance in Chemistry 2008 46 878-885 1H, 13C NMR, X-ray and conformational studies of new 1-alkyl-3-benzoyl-pyrazole and 1-alkyl-3-benzoyl-pyrazoline derivatives (pages 878–885) Luisa C. López-Cara, M. Dora Carrión, M. Encarnación Camacho, Miguel A. Gallo, Antonio Espinosa, Duane Choquesillo-Lazarte, Josefa M. Gonzalez-Pérez and Antonio Entrena Guadix Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . Compound 8 相似度:52.9% Magnetic Resonance in Chmesitry 2005 43 430-434 Synthesis and NMR spectral study of some t(3)-aryl-r(2), c(4)-bisethoxycarbonyl-t(5)-hydroxy-c(5)-methylcyclohexanones K. Pandiarajan, R. T. Sabapathy Mohan, R. Gomathi and G. Muthukumaran Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . Compound 9 相似度:52.9% Magnetic Resonance in Chmesitry 2005 43 430-434 Synthesis and NMR spectral study of some t(3)-aryl-r(2), c(4)-bisethoxycarbonyl-t(5)-hydroxy-c(5)-methylcyclohexanones K. Pandiarajan, R. T. Sabapathy Mohan, R. Gomathi and G. Muthukumaran Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . Lipiferolide 相似度:52.9% Archives of Pharmacal Research 2007 30 299-302 Farnesyl protein transferase and tumor cell growth inhibitory activities of lipiferolide isolated fromLiriodendron tulipifera Mi Kyeong Moon, Hyun Mi Oh, Byoung-Mog Kwon, Nam-ln Baek and Sung-Hoon Kim, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . (2S,3S)-2-(3-Benzenesulfonylamino-3-benzyl-2-oxo-pyrrolidin-1-yl)-propionic acid methyl ester C21H24N2O5S 相似度:52.9% Bioorganic & Medicinal Chemistry 1998 6 2477-2494 Structure-based design, synthesis and evaluation of conformationally constrained cysteine protease inhibitors Karl A. Scheidt, William R. Roush, James H. McKerrow, Paul M. Selzer, Elizabeth Hansell, Philip J. Rosenthal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . methyl N-4-(4-acetoxymethylbenzamidyl)phenethyl-4-aminobutanoate C23H29N2O5 相似度:52.6% Bioorganic & Medicinal Chemistry 2010 18 7291-7301 Design and preparation of sterol mimetics as potential antiparasitics Federica Gigante, Marcel Kaiser, Reto Brun, Ian H. Gilbert Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . bilain A C20H26N2O5S2 相似度:50% Journal of Natural Products 2007 70 1746-1752 Citromycetins and Bilains A–C: New Aromatic Polyketides and Diketopiperazines from Australian Marine-Derived and Terrestrial Penicillium spp. Robert J. Capon,Michael Stewart, Ranjala Ratnayake, Ernest Lacey, and Jennifer H. Gill Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . veranisatin C C16H21O10 相似度:50% Chemical & Pharmaceutical Bulletin 1996 44 1908-1914 Neurotropic Components from Star Anise : Illicium verum HOOK. fil. Tomonori NAKAMURA,Emi OKUYAMA and Mikio YAMAZAKI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . peroxyplakoric acid A3 methyl ester C18H30O5 相似度:50% Chemical & Pharmaceutical Bulletin 1993 41 1324-1326 ANTIFUNGAL PEROXYKETAL ACIDS FROM AN OKINAWAN MARINE SPONGE OF PLAKORTIS SP. Motomasa KOBAYASHI,Kazunari KONDO and Isao KITAGAWA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . compound 6a C18H17IN2O3 相似度:50% Tetrahedron Letters 2000 41 8741-8745 Synthesis of 5,6-bis(alkyn-1-yl)pyrimidines and related nucleosides E. Sathyajith Kumarasinghe, Matt A. Peterson, Morris J. Robins Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . tert-butyl methyl 2-(2-nitrophenyl)-3-oxoheptanedioate 相似度:50% Journal of Heterocyclic Chemistry 2009 46 172-177 1,2,3,9-Tetrahydro-4H-carbazol-4-one and 8,9-dihydropyrido-[1,2-a]indol-6(7H)-one from 1H-indole-2-butanoic acid Richard A. Bunce and Baskar Nammalwar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . methyl 2-{1-[(2-ethoxy-2-oxoethyl)amino]-3-methoxy-1,3-dioxopropan-2-yl}benzoate C16H19NO7 相似度:50% Journal of Heterocyclic Chemistry 2009 46 392-398 Facile synthesis of 4-alkoxycarbonylisoquinoline-1,3-diones and 5-alkoxycarbonyl-2-benzazepine-1,3-diones via a mild alkaline cyclization Muriel Billamboz,Fabrice Bailly and Philippe Cotelle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . compound 2c C21H17Cl2NO4 相似度:50% Journal of Heterocyclic Chemistry 2009 46 1239-1246 Ethyl-3,4-diaroyl-2-cyanobutyrate: A Synthon for novel heterocycles Adivireddy Padmaja,Thalari Payani,Konda Mahesh and Venkatapuram Padmavathi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . methyl 3-[2-(1-Hexyn-1-yl)phenyl]-2-nitromethyl-2-propenoate C17H19NO4 相似度:50% Journal of Heterocyclic Chemistry 2006 43 799-801 The dipolar route to naphtho[2,1-c]isoxazoles from the baylis-hillman adducts of 2-alkynylbenzaldehydes Sang-Hoon Ji,Wan Pyo Hong,Seung Ho Ko and Kee-Jung Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . [(2R,4S)-3-benzoyl-2-isopropyl-4-methyl-5-oxo-oxazolidin-4-yl]acetic acid ethyl ester C18H23NO5 相似度:50% Heterocycles 2005 65 59-75 3-Benzoyl-2-isopropyl-4-alkyloxazolidin-5-ones as Efficient and Inexpensive Sources of Enantiopure α,α-Dialkyl α-Amino Acids and α,β-Dialkyl α,β-Diaminopropionic Acids Susana Rojas-Lima,* Omar Téllez-Zenteno, Heraclio López-Ruiz, Lizeth Loubet-González, and Alejandro Alvarez-Hernandez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . (±)-Ethyl 2-{4-[2-(2-hydroxy-2-phenylethyl-amino)ethyl]phenoxy}propanoate C21H27NO4 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 2473-2488 Stereospecific synthesis and bio-activity of novel β3-adrenoceptor agonists and inverse agonists Maria Grazia Perrone, Ernesto Santandrea, Laura Bleve, Paola Vitale, Nicola Antonio Colabufo, Ralf Jockers, Ferdinando Maria Milazzo, Anna Floriana Sciarroni, Antonio Scilimati Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . Compound 5 相似度:50% Magnetic Resonance in Chmesitry 2005 43 430-434 Synthesis and NMR spectral study of some t(3)-aryl-r(2), c(4)-bisethoxycarbonyl-t(5)-hydroxy-c(5)-methylcyclohexanones K. Pandiarajan, R. T. Sabapathy Mohan, R. Gomathi and G. Muthukumaran Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . compound 8 C30H40N2O8Si 相似度:50% Tetrahedron Letters 2001 42 8801-8804 β-Oxy-α-diazo-carbonyl compounds. Part 5: An improved synthesis of β-hydroxy-α-diazo esters derived from monosaccharides and synthetic applications in the chemistry of 3-deoxy-2-ulosonic acids Francisco Sarabia, Fidel Jorge López-Herrera Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . compound 3a 相似度:50% Tetrahedron Letters 2002 43 4675-4678 Synthesis of 1,3-disubstituted naphthalenes from the Baylis–Hillman acetates with the aid of manganese(III) acetate Yang Jin Im, Ka Young Lee, Taek Hyeon Kim, Jae Nyoung Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . DL-N-[5-(p-Amidinophenyl)pentanoyl]-3-methyl-β-alanineethylester C18H27N3O3 相似度:50% Bioorganic & Medicinal Chemistry 1995 3 539-551 A novel series of orally active antiplatelet agents Jeffery A. Zablocki, Foe S. Tjoeng, Philippe R. Bovy, Masateru Miyano, Robert B. Garland, Kenneth Williams, Lori Schretzman, Mark E. Zupec, Joseph G. Rico, Richard J. Lindmark, Mihaly V. Toth, Dudley E. McMackins, Steven P. Adams, Susan G. Panzer-Knodle, Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 52 . (5R,6S,7aR)-Methyl 7a-benzyl-hexahydro-1-oxo-5-(pyridin-3-yl)-3-thioxo-1H-pyrrolo[1,2-c]-imidazole-6-carboxylate C20H19N3O3S 相似度:50% Heterocycles 2011 83 2091-2114 Polysubstituted Fused Ring Bicyclic Thiohydantoins from Aminocarbo-N-thioylpyrrolidines Derived from Azomethine Ylide 1,3-Dipolar Cycloadditions Yahya Nural, H. Ali Döndaş,* Ronald Grigg, and Ertan Şahin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 53 . N-2-(triphenylsilyl)ethoxycarbonyl-L-leucine allyl ester C30H35NO4Si 相似度:50% molecules 2011 16 4695-4718 The 2-(Triphenylsilyl)ethoxycarbonyl-(“Tpseoc”-) Group: A New Silicon-Based, Fluoride Cleavable Oxycarbonyl Protecting Group Highly Orthogonal to the Boc-, Fmoc-and Cbz-Groups Martin Golkowski and Thomas Ziegler Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 54 . Alloc-(S)-Ala-(S)-Me-Val-Gly-Oet C17H29N3O6 相似度:50% Tetrahedron 2000 56 1759-1775 Total Synthesis and Revision of Absolute Stereochemistry of Antillatoxin, an Ichthyotoxic Cyclic Lipopeptide from Marine Cyanobacterium Lyngbya majuscula Fumiaki Yokokawa, Hideyasu Fujiwara, Takayuki Shioiri Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 55 . butyl 4-chloro-2-(2,6-dichlorobenzamido)benzoate C18H16Cl3NO3 相似度:50% Bioorganic & Medicinal Chemistry 2008 16 5803-5814 Synthesis and anti-platelet evaluation of 2-benzoylaminobenzoate analogs Pei-Wen Hsieh, Shin-Zan Chiang, Chin-Chung Wu, Yi-Ching Lo, Yu-Tzu Shih, Yang-Chang Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 56 . ethyl 6-(4-bromobenzoyl)-4,4,6-trimethyl-2-oxo-3-oxabicyclo[3.1.0]hecane-1-carboxylate C18H19BrO5 相似度:50% Russian Journal of Organic Chemistry 2006 42 973-980 Cyclopropanation of N-substituted 3-aryl-2-cyanoprop-2-enamides and derivatives of 5,5-Dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylic acid and 2-oxochromene-3-carboxylic acid with bromine-containing zinc enolates V. V. Shchepin, P. S. Silaichev, Yu. G. Stepanyan, M. M. Kalyuzhnyi and N. Yu. Russkikh, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 57 . threo-1,1-diethyl 3-methyl 4-hydroxy-4-(3-nitrophenyl)butane-1,1,3-tricarboxylate C18H23NO9 相似度:50% Molecules 2012 17 2529-2541 Tandem Three-Component Reactions of Aldehyde, Alkyl Acrylate, and Dialkylmalonate Catalyzed by Ethyl Diphenylphosphine Yeong-Jiunn Jang, Siang-En Syu, Yi-Wun Jhang, Yu-Ting Lee, Chia-Jui Lee, Ko-Wei Chen, Utpal Das and Wenwei Lin Structure 13C NMR 碳谱模拟图 |
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