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lqm19890117

银虫 (小有名气)

[求助] 微谱求助!非常感谢

化合物碳谱数据:59.4,62.3,69.5,112.5,126.9,127.4,133.4,134.4,162.8,181.3
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superspace

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【答案】应助回帖

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感谢参与,应助指数 +1
xiaoxiao270: 金币+4 2012-12-13 19:12:44
lqm19890117: 金币+15, ★★★★★最佳答案, 非常感谢!! 2012-12-14 08:41:21
这是你求助的化合物在相似度50%以上的匹配信息
     1 .     compound 13
    C10H10O4CL2     相似度:60%
    Chemistry of Natural Compounds          1999          35          404-408
    SYNTHESIS OF a-MONOGLYCERIDES OF AROMATIC ACIDS
    A. F. Artamonov, F. S. Nigmatullina,M. T. Aldabergenova, and B. Zh. Dzhiembaev
    Structure      13C NMR   碳谱模拟图

    2 .     erythricin
    C10H10O3     相似度:60%
    Natural Product Research          2006          20          896-901
    Phytochemical studies and antibacterial activity of Centaurium pulchellum Druce
    Hafsa Bibi; Irshad Ali; S. K. Sadozai; Atta-Ur-Rahman
    Structure      13C NMR   碳谱模拟图

    3 .     Benzo[d]-1,3-oxathiin-4-one
        相似度:60%
    Tetrahedron          2012          68          3932-3936
    Synthesis of 1,2-benzisothiazolin-3-ones by ring transformation of 1,3-benzoxathiin-4-one 1-oxides Original Research Article
    Masao Shimizu, Teruaki Shimazaki, Tetsuya Yoshida, Wataru Ando, Takeo Konakahara
    Structure      13C NMR   碳谱模拟图

    4 .     3,3'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis-(ethane-2,1-diyl))bis(oxy)-bis(2-chloronaphthalene-1,4-di-one)
        相似度:60%
    Bioorganic & Medicinal Chemistry          2008          16          3687-3693
    Studies on quinones. Part 43: Synthesis and cytotoxic evaluation of polyoxyethylene-containing 1,4-naphthoquinones
    Jaime A. Valderrama, Hilda Leiva, Jaime A. Rodríguez, Cristina Theoduloz, Guillermo Schmeda-Hirshmann
    Structure      13C NMR   碳谱模拟图

    5 .     (R)-[2-(2-chlorobenzyl)oxiran-2-yl]methanol
    C10H11ClO2     相似度:60%
    European Journal of Organic Chemistry          2010                   6840-6849
    Chiral Primary Amine Catalyzed Asymmetric Epoxidation of α-Substituted Acroleins
    Jiuyuan Li, Niankai Fu, Long Zhang, Pengxin Zhou, Sanzhong Luo and Jin-Pei Cheng
    Structure      13C NMR   碳谱模拟图

    6 .     3-Formynitrophenoxy p-tolunitrile
    C15H10N2O4     相似度:58.3%
    Bioorganic & Medicinal Chemistry          1998          6          2345-2381
    Preparation and biological activity of novel tricyclic GPIIb/IIIa antagonists
    Kirk D. Robarge, Michael S. Dina, Todd C. Somers, Arthur Lee, Thomas E. Rawson, Alan G. Olivero, Maureen H. Tischler, Robert R. Webb II, Kenneth J. Weese, Ignacio Aliagas, Brent K. Blackburn
    Structure      13C NMR   碳谱模拟图

    7 .     1,3-dihydroxy-2-methoxymethyl-9,10-anthraquinone
        相似度:57.1%
    Turkish Journal of Chemistry          2009          33          561-568
    A novel naphthoquinone glycoside from Rubia peregrina L.
    UFUK ÖZGEN, CAVİT KAZAZ, HASAN SEÇEN, İHSAN ÇALIŞ, MAKSUT COŞKUN, PETER J. HOUGHTON
    Structure      13C NMR   碳谱模拟图

    8 .     Methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate
        相似度:54.5%
    Bioorganic & Medicinal Chemistry          2011          19          939-950
    Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists
    Raimo Saari, Jonna-Carita Törmä, Tapio Nevalainen
    Structure      13C NMR   碳谱模拟图

    9 .     compound 6
        相似度:54.5%
    Canadian Journal of Chemistry          2007          85          157-163
    Synthesis and enhanced neuroprotective activity of C60-based ebselen derivatives
    Xu-Feng Liu, Wen-Chao Guan, and Weng-Shan Ke
    Structure      13C NMR   碳谱模拟图

    10 .     1-(Thien-2-yl)-3-(2,6-difluorophenyl)prop-2-en-1-one
    C13H18F2OS     相似度:54.5%
    Archives of Pharmacal Research          2012          35          633-638
    Design, Synthesis, and Anti-influenza Viral Activities of 1,3-Diarylprop-2-en-1-ones: A Novel Class of Neuraminidase Inhibitors
    Mayank Kinger, Yong Dae Park, Jeong Hoon Park, Min Goo Hur, Hyung Jae Jeong, Su-Jin Park,Woo Song Lee, Sang Wook Kim, and Seung Dae Yang
    Structure      13C NMR   碳谱模拟图

    11 .     ethyl 2-azido-6-(4-bromophenyl)pyrimidine-4-carboxylate
    C13H11BrN5O2     相似度:54.5%
    Journal of Heterocyclic Chemistry          2010          47          878-886
    A simple and versatile protocol for the preparation of 1,3-functionalized heterocycles utilizing benzoylpyruvates
    Jens M. J. Nolsöe, Anne Ertan, Mats Svensson and Dirk Weigelt
    Structure      13C NMR   碳谱模拟图

    12 .     1,4-benzodiazepin-2-one
        相似度:54.5%
    Archiv der Pharmazie          2000          333          48-52
    Photochemical and Chemical Oxidation of Mexiletine and Tocainide. Structure Elucidation of the Major Products
    Mihály Takács, József Vámos, Gábor Tóth and Zsuzsa Mikó-Hideg
    Structure      13C NMR   碳谱模拟图

    13 .     ethyl 5-formyl-3-nitroimidazo[1,2-a]pyridine-2-carboxylate
    C11H9N3O5     相似度:54.5%
    Heterocycles          2002          57          21-38
    Efficient Synthesis of New Polyfunctionalized Thiadiazaacenaphthylenes from Imidazo[1,2-a]pyridines
    Emmanuel Moreau, Jean-Michel Chezal, Caroline Dechambre, Damien Canitrot, Yves Blache, Claire Lartigue, Olivier Chavignon, and Jean-Claude Teulade*
    Structure      13C NMR   碳谱模拟图

    14 .     ethyl 5-chloro-1H-indole-2-carboxylate
        相似度:54.5%
    European Journal of Organic Chemistry          2011                   6902-6908
    A Tandem “On-Palladium” Heck–Jeffery Amination Route Toward the Synthesis of Functionalized Indole-2-carboxylates
    James McNulty and Kunal Keskar
    Structure      13C NMR   碳谱模拟图

    15 .     creol A
    C12H14O4     相似度:50%
    Chemical & Pharmaceutical Bulletin          2008          56(4)          536-540
    Bioactive Constituents from Chinese Natural Medicines. XXVIII.1) Chemical Structures of Acyclic Alcohol Glycosides from the Roots of Rhodiola crenulata
    Seikou NAKAMURA, Xuezheng LI, Hisashi MATSUDA, and Masayuki YOSHIKAWA
    Structure      13C NMR   碳谱模拟图

    16 .     (1E,6E)-1,7-Di-[4-(methylsulfonyl)phenyl]-1,6-heptadien-3,5-dione
    C21H20O6S2     相似度:50%
    Chemical & Pharmaceutical Bulletin          2007          55(1)          64-71
    Synthesis of Novel Curcumin Analogues and Their Evaluation as Selective Cyclooxygenase-1 (COX-1) Inhibitors
    Norbert HANDLER,Walter JAEGER,Helmut PUSCHACHER,Klaus LEISSER,and Thomas ERKER
    Structure      13C NMR   碳谱模拟图

    17 .     tridentatol E
    C11H12NO4S3Na     相似度:50%
    Journal of Natural Products          2002          65          681-684
    Tridentatols D-H, Nematocyst Metabolites and Precursors of the Activated Chemical Defense in the Marine Hydroid Tridentata marginata (Kirchenpauer 1864)
    Niels Lindquist
    Structure      13C NMR   碳谱模拟图

    18 .     2-hydroxymethyl-2-[2'-(4',9'-dihydronaphtho[2',3'-b]-furan-4',9'-dionylmethyl)amino]-1,3-propanediol
    C17H17NO6     相似度:50%
    Journal of Natural Products          1999          62          963-968
    Synthesis of Furanonaphthoquinones with Hydroxyamino Side Chains
    Chongming Wu, Randall K. Johnson, Michael R. Mattern, Jackson C. Wong, and David G. I. Kingston
    Structure      13C NMR   碳谱模拟图

    19 .     2-Chloro-3-(4-morpholino)-1,4-naphthoquinone
    C14H12NClO3     相似度:50%
    Molecules          2000          5          M160
    2-Chloro-3-(4-morpholino)-1, 4-naphthoquinone
    Sukanta Bhattacharyya
    Structure      13C NMR   碳谱模拟图

    20 .     2,3-Bis(chloromethyl)-1,4-dimethoxyanthraquinone
    C18H14Cl2O4     相似度:50%
    Molecules          2005          10          289-294
    An Electron Transfer Approach to the Preparation of Highly Functionalized Anthraquinones
    Abdelouahab Beziane, Thierry Terme and Patrice Vanelle
    Structure      13C NMR   碳谱模拟图

    21 .     2-bromoaldisin
    C8H8N2O2     相似度:50%
    Journal of Natural Products          1985          Vol 48          47-53
    Marine Natural Products: Pyrrololactams from Several Sponges
    Francis J. Schmitz, Sarath P. Gunasekera, Vijai Lakshmi, L. M. V. Tillekeratne
    Structure      13C NMR   碳谱模拟图

    22 .     (α-R,4R)-2-Dichloromethyl-4,5-dihydro-α-[(4-methylthio)phenyl]-4-oxazolemethanol
    C12H13Cl2NO4S     相似度:50%
    Chemical Research in Chinese Universities          2001          17          271-275
    Syntheses and Configuration Inversion of Substituted Oxazolines
    YANG Shao-rong,HU Quan-yuan,LIU Jun,YANG Hui and HU Xian-ming
    Structure      13C NMR   碳谱模拟图

    23 .     Phenyl 2-azido-2-deoxy-1-thio-α-D-galactopyranoside
    C12H15N3O4S     相似度:50%
    Canadian Journal of Chemistry          2010          88          1154-1174
    Configurations and conformations of glycosyl sulfoxides
    Hong Liang, Micheline MacKay, T. Bruce Grindley, Katherine N. Robertson, and T. Stanley Cameron
    Structure      13C NMR   碳谱模拟图

    24 .     4-(1H-Benzimidazol-2-yl)benzonitrile
        相似度:50%
    Canadian Journal of Chemistry          2008          86          1044-1051
    Copper-catalyzed one-pot synthesis of benzimidazole derivatives
    Hashem Sharghi, Mona Hosseini-Sarvari, and Fatemeh Moeini
    Structure      13C NMR   碳谱模拟图

    25 .     5-(4'-Methylphenyl)-pyrazolidine-3,3,4,4-tetracarbonitrile
    C14H10N6     相似度:50%
    Canadian Journal of Chemistry          2005          83          57-62
    New cycloaddition of diarylazines with 1,2-dehydrobenzene, 1,1,2,2-tetracyanoethylene, and dibenzoylacetylene-Facile synthesis of acridinones, pyrazolidine, and pyridazine derivatives
    Ashraf A. Aly and Mohsen A.-M. Gomaa
    Structure      13C NMR   碳谱模拟图

    26 .     N-Benzoylamino(phenyl)methyl benzamide
    C21H18N2O2     相似度:50%
    Canadian Journal of Chemistry          2011          89          555–561
    Silica-supported barium chloride (SiO2–BaCl2) —Efficient and heterogeneous catalyst for the environmentally friendly preparation of N, N'-alkylidene bisamides under solvent-free conditions
    Mohammad Reza Mohammad Shafiee
    Structure      13C NMR   碳谱模拟图

    27 .     N'-Benzoyl-N-benzyl-N-methylthiourea
        相似度:50%
    Helvetica Chimica Acta          2012          95          339-348
    Efficient One-Pot Synthesis of Alkyl 2-(Dialkylamino)-4-phenylthiazole-5-carboxylates and Single-Crystal X-Ray Structure of Methyl 2-(Diisopropylamino)-4-phenylthiazole-5-carboxylate
    Ali Souldozi,Ali Ramazani, Ali Reza Dadrass, Katarzyna Ślepokura, and Tadeusz Lis
    Structure      13C NMR   碳谱模拟图

    28 .     1-[(2,6-dimethyl phenyl)aminocarbonylmethyl]-4-[2,3-dihydroxyl-propyl]piperazine
    C17H27N3O3     相似度:50%
    Chemical & Pharmaceutical Bulletin          2009          57          1218-1222
    Synthesis of Ranolazine Metabolites and Their Anti-myocardial Ischemia Activities
    Zhangyu Yao, Shubo Gong, Teng Guan, Yunman Li, Xiaoming Wu and Hongbin Sun
    Structure      13C NMR   碳谱模拟图

    29 .     N-methoxy-N'-naphthyldiimide N'-oxide
    C11H10N2O2     相似度:50%
    Tetrahedron Letters          2000          41          451-456
    O-Alkylation chemistry of neocupferron
    Yongchun Hou, Wenhua Xie, Niroshan Ramachandran, Bulent Mutus, Adam J. Janczuk, Peng George Wang
    Structure      13C NMR   碳谱模拟图

    30 .     2,5-bis(2-allyloxyphenyl)-1,3,4-thiadiazole
    C20H18N2O2S     相似度:50%
    Journal of Heterocyclic Chemistry          2009          46          1119-1124
    New crown compounds containing a 1,3,4-thiadiazole moiety: Synthesis and crystal structure
    Moha Outirite,Fouad Bentiss,Mounim Lebrini,Jean-Pierre Wignacourt and Michel Lagrenée
    Structure      13C NMR   碳谱模拟图

    31 .     compound 17c
    C16H14ClN4O3PS     相似度:50%
    Journal of Heterocyclic Chemistry          2008          45          1131-1138
    Synthesis of a new class of bisheterocycles from phenacylsulfonylacetic acid methyl ester
    Venkatapuram Padmavathi,Annaji Venkata Nagendra Mohan and Konda Mahesh
    Structure      13C NMR   碳谱模拟图

    32 .     4-(4,7-dibromo-1-methyl-1H-indol-3-yl)-2-pyrimidinamine
    C13H10Br2N4     相似度:50%
    Journal of Heterocyclic Chemistry          2007          44          793-801
    Dimethylformamide dimethyl acetal in heterocyclic synthesis: Synthesis of polyfunctionally substituted pyridine derivatives as precursors to bicycles and polycycles
    Fathi A. Abu-Shanab,A. M. Hessen and S. A. S. Mousa
    Structure      13C NMR   碳谱模拟图

    33 .     ethyl 3-benzylamino-6,6a-dihydro-3aH-pyrazolo[3,4-d]isothiazol-6-carboxylate 1,1-dioxide
    C14H16N4O4S     相似度:50%
    Journal of Heterocyclic Chemistry          2006          43          1045-1049
    Isothiazolo[5,4-d]isoxazole S,S-dioxides and pyrazolo [3,4-d]-isothiazole S,S-dioxides through cycloaddition reaction on 3-benzylaminoisothiazole S,S-dioxides
    Francesca Clerici,Maria Luisa Gelmi,Cristiano Monzani,Donato Pocar and Alessandro Sala
    Structure      13C NMR   碳谱模拟图

    34 .     4-difluoromethylene-3,4-dihydro-1H-2-benzopyran
    C10H8OF2     相似度:50%
    Heterocycles          2009          77          1285-1296
    Synthesis of Isochromanes and Isothiochromanes Bearing Fluorinated One-Carbon Units via Intramolecular Cyclizations of ortho-Substituted α-(Trifluoromethyl)styrenes
    Junji Ichikawa, Masahiro Ikeda, and Masahiro Hattori
    Structure      13C NMR   碳谱模拟图

    35 .     compound 4b
        相似度:50%
    Heterocycles          2009          78          2979-2992
    A Non-Acyl Azide Route to Isoquinolin-1(2H)-one Derivatives via β-Styril Carbamates
    Chien-Chang Chen, Li-Yueh Chen, Rung-Yuan Lin, Che-Yi Chu, and Shenghong A. Dai
    Structure      13C NMR   碳谱模拟图

    36 .     (R)-2,2'-dimethoxy-1,1'-binaphthyl-3,3'-diyldiboronic acid
        相似度:50%
    Heterocycles          2009          78          3023-3036
    Bifunctional Organocatalyst to Promote the Biginelli Reaction under Mild Conditions
    Nobuyuki Mase, Daisuke Nakamura, Yasuhiro Kawano, Yuka Suzuki, and Kunihiko Takabe
    Structure      13C NMR   碳谱模拟图

    37 .     methyl 2-(2-bromophenyl)-2-formylacetate
        相似度:50%
    Heterocycles          2008          75          2973-2980
    A Simple and Practical Synthesis of Methyl Benzofuran-3-carboxylates
    Ferdinand S. Melkonyan, Nikita E. Golantsov, and Alexander V. Karchava
    Structure      13C NMR   碳谱模拟图

    38 .     10-(4-chlorophenyl)phenothiabismine 5,5-dioxide
    C19H12BiClO2S     相似度:50%
    Heterocycles          2007          74          771-790
    A New Preparative Method of Aryl Sulfonate Esters by Using Cyclic Organobismuth Reagents
    Naoto Sakurai and Teruaki Mukaiyama
    Structure      13C NMR   碳谱模拟图

    39 .     diethyl 2,2-bis(5'-bromo-3'-indolyl)malonate
    C23H20N2O4Br2     相似度:50%
    Heterocycles          2005          65          37-48
    First Isolation of Both Indolylcarbinols and Diindolylalkanes from Microwave-assisted Acid (Clay)-catalysed Reaction of Indoles with Diethyl Ketomalonate
    Manas Chakrabarty,* Sulakshana Karmakar, and Yoshihiro Harigaya
    Structure      13C NMR   碳谱模拟图

    40 .     (E)-3-(1'-hydroxy-2'-buten-1'-yl)-2-methylthiophene
    C9H12OS     相似度:50%
    Heterocycles          2005          66          535-542
    Wittig Rearrangement of Ally 2-Thiophenemethyl Ethers: Facile Synthesis of Thiophenemethanol and -ethanol Derivatives
    Masayoshi Tsubuki,* Sohichiro Matsuo, and Toshio Honda*
    Structure      13C NMR   碳谱模拟图

    41 .     2-chloro-3-methoxy-1,4-naphthoquinone
        相似度:50%
    Heterocycles          2003          60          2343-2348
    Epoxidation of Quinones with Urea Hydrogen Peroxide
    Jaime A. Valderrama,* M. Florencia González, and Cristián Torres
    Structure      13C NMR   碳谱模拟图

    42 .     N-(p-sulfamoylphenyl)-α-D-galactopyranosylamine
        相似度:50%
    Bioorganic & Medicinal Chemistry Letters          2004          14          225-229
    Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-α--glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits
    Jean-Yves Winum, Angela Casini, Francesco Mincione, Michele Starnotti, Jean-Louis Montero, Andrea Scozzafava, Claudiu T. Supuran
    Structure      13C NMR   碳谱模拟图

    43 .     4-(Benzyloxy)benzaldehyde
        相似度:50%
    Helvetica Chimica Acta          2010          93          1960-1966
    Stereoselective Total Synthesis of Dodoneine
    Baggu Chinnababu, Sudina Purushotham Reddy, Chitturi Bhujanga Rao, Karuturi Rajesh and Yenamandra Venkateswarlu
    Structure      13C NMR   碳谱模拟图

    44 .     compound 6
    C9H10F2O3S     相似度:50%
    Tetrahedron Letters          2001          42          4861-4863
    Electrolytic partial fluorination of organic compounds. Part 50: Highly selective anodic mono- and difluorination of 4-phenylthiomethyl-1,3-dioxolan-2-one and its synthetic application
    Katsutoshi Suzuki, Hideki Ishii, Toshio Fuchigami
    Structure      13C NMR   碳谱模拟图

    45 .     compound 3b
        相似度:50%
    Tetrahedron Letters          2002          43          53-56
    1,3-Dipolar cycloaddition of nitrile oxides to 1-phenylsulfonyl-1,3-butadienes: synthesis of 3-(4,5-dihydroisoxazol-5-yl)pyrroles
    Sung Hee Hwang, Mark J Kurth
    Structure      13C NMR   碳谱模拟图
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