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hejiangbo

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[求助] 求助微谱查询

相似度:50%
溶剂:氯仿
核磁数据:24.1,126.9,129.1,129.4,134.9,145.3,147.7,160.8,194.2
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superspace

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jiangchunyong: 金币+1, 谢谢 2012-11-27 14:35:51
hejiangbo: 金币+10, ★★★★★最佳答案, 十分感谢 2012-11-27 14:48:50
这是你求助的化合物在相似度55%以上的匹配信息(由于化合物 数目太多故找55%以上的匹配信息)
     1 .     2-methyl-6-phenyl-1,3,4-thiadiazin-5(6H)-one
    C10H10N2OS     相似度:77.7%
    Tetrahedron          2012          68          3616-3625
    Reactions of α-mercaptocarboxylic acid hydrazides with triethyl orthoesters: synthesis of 1,3,4-thiadiazin-5(6H)-ones and 1,3,4-oxadiazoles
    Agnieszka Kudelko
    Structure      13C NMR   碳谱模拟图

    2 .     thiazolo[5,4-f]quinazolin-9(8H)one
    C9H5N3OS     相似度:66.6%
    Tetrahedron Letters          2000          41          1027-1030
    Multistep synthesis of thiazoloquinazolines under microwave irradiation in solution
    Thierry Besson, Jérôme Guillard, Charles W. Rees
    Structure      13C NMR   碳谱模拟图

    3 .     6-benzyl-2-methyl-1,3,4-thiadiazin-5(6H)-one
    C11H12N2OS     相似度:66.6%
    Tetrahedron          2012          68          3616-3625
    Reactions of α-mercaptocarboxylic acid hydrazides with triethyl orthoesters: synthesis of 1,3,4-thiadiazin-5(6H)-ones and 1,3,4-oxadiazoles
    Agnieszka Kudelko
    Structure      13C NMR   碳谱模拟图

    4 .     (4-Nitrophenyl)(phenyl)sulfane
        相似度:66.6%
    European Journal of Organic Chemistry          2011                   7331-7338
    A Highly Efficient Method for the Copper-Catalyzed Selective Synthesis of Diaryl Chalcogenides from Easily Available Chalcogen Sources
    Yaming Li, Caiping Nie, Huifeng Wang, Xiaoying Li, Francis Verpoort and Chunying Duan
    Structure      13C NMR   碳谱模拟图

    5 .     (4-chlorophenyl)(4-nitrophenyl)sulfane
        相似度:66.6%
    European Journal of Organic Chemistry          2011                   7331-7338
    A Highly Efficient Method for the Copper-Catalyzed Selective Synthesis of Diaryl Chalcogenides from Easily Available Chalcogen Sources
    Yaming Li, Caiping Nie, Huifeng Wang, Xiaoying Li, Francis Verpoort and Chunying Duan
    Structure      13C NMR   碳谱模拟图

    6 .     4-Nitrophenyl phenyl thioether
        相似度:66.6%
    European Journal of Organic Chemistry          2010                   2324-2329
    A Highly Efficient, Ligand-Free, and Recyclable Cu2S-Catalyzed Coupling of Aryl Iodides with Diaryl Disulfides
    Huifeng Wang, Linlin Jiang, Tao Chen and Yaming Li
    Structure      13C NMR   碳谱模拟图

    7 .     2-(Methyldithio)quinoline
    C10H10NS2     相似度:60%
    Journal of Natural Products          2009          72          360-365
    Bioactive Pyridine-N-oxide Disulfides from Allium stipitatum
    Gemma O’Donnell,Rosemarie Poeschl, Oren Zimhony, Mekala Gunaratnam, Joao B. C. Moreira, Stephen Neidle,Dimitrios Evangelopoulos, Sanjib Bhakta, John P. Malkinson,Helena I. Boshoff, Anne Lenaerts,O and Simon Gibbons
    Structure      13C NMR   碳谱模拟图

    8 .     4-Cyanoindan
    C10H9N     相似度:60%
    Canadian Journal of Chemistry          2006          84          10-20
    Steric effects in the phototransposition reactions of dialkylbenzenes
    C.M. Gonzalez and J.A. Pincock
    Structure      13C NMR   碳谱模拟图

    9 .     2-methylquinoline
        相似度:60%
    Phytochemistry          1990          29          813-815
    Molluscicidal quinoline alkaloids from Galipea bracteata
    Paulo C. Vieira,Isao Kubo
    Structure      13C NMR   碳谱模拟图

    10 .     N-(Imidazol-2-yl-methyl)-N-(2-pyridylmethyl)-amine
    C10H12N4     相似度:60%
    Tetrahedron          2012          68          1223-1229
    Preparation of new imidazol-2-yl-(amino)methylphosphonates, phosphinates and phosphine oxides and their unexpected cleavage under acidic conditions
    Bogdan Boduszek, Tomasz K. Olszewski, Waldemar Goldeman, Kamila Grzegolec, Patrycja Blazejewska
    Structure      13C NMR   碳谱模拟图

    11 .     17β-(4-Methylphenylsulfonyloxy)-5α-androst-2-ene
        相似度:55.5%
    Chemistry of Natural Compounds          2006          42          313-315
    SYNTHESIS OF 17a-AMINO-5a-ANDROST-2-ENE FROM EPIANDROSTERONE
    M. I. Merlani, L. Sh. Amiranashvili, E. P. Kemertelidze,K. Papadopulos, and E. Yannakopulu
    Structure      13C NMR   碳谱模拟图

    12 .     elijopyrone B
    C12H16O3     相似度:55.5%
    Natural Product Research          1995          6          303-308
    Elijopyrones A-D: New α-pyrones from a Marine Actinomycete
    Steven G. Toske; Paul R. Jensen; Christopher A. Kauffman; William Fenical
    Structure      13C NMR   碳谱模拟图

    13 .     S-Phenyl ethanethioate
        相似度:55.5%
    Canadian Journal of Chemistry          2009          87          678-683
    On the reactivity of indium(III) benzenechalcogenolates (chalcogen = sulfur and selenium) towards organyl halides for the synthesis of organyl phenyl chalcogenides
    Clovis Peppe and Liérson Borges de Castro
    Structure      13C NMR   碳谱模拟图

    14 .     6-benzoyl-4-(4H-1,2,4-triazol-3-yl)thiomorpholin-3-one
    C13H12N4O2S     相似度:55.5%
    Tetrahedron Letters          2012          53          1149-1152
    A chemoselective hydroxymethylation: new route for the synthesis of 6-aroyl-4-(4H-triazol-3-yl)thiomorpholin-3-ones
    Thulasiraman Krishnaraj,Shanmugam Muthusubramanian
    Structure      13C NMR   碳谱模拟图

    15 .     S-Phenyl 2-Methyl-3-oxopentanethioate
    C12H14O2S     相似度:55.5%
    Helvetica Chimica Acta          2012          95          353-403
    Substrate Range of the Titanium TADDOLate Catalyzed Asymmetric Fluorination of Activated Carbonyl Compounds
    Andreas Bertogg, Lukas Hintermann, Dominique P. Huber, Mauro Perseghini,Maria Sanna, and Antonio Togni
    Structure      13C NMR   碳谱模拟图

    16 .     compound
    C11H8O2     相似度:55.5%
    Tetrahedron Letters          2000          41          4955-4958
    Diels–Alder cycloaddition of 5-aryl-2-pyrones
    Kamyar Afarinkia, Jose Berna-Canovas
    Structure      13C NMR   碳谱模拟图

    17 .     2-amino-1-genzylideneamino-4-methyl-1H-imidazole
    C11H12N4     相似度:55.5%
    Journal of Heterocyclic Chemistry          2002          39          157-162
    Synthesis of nitrogen-containing heterocycles 10. Reaction of 2-amino-1h-imidazole derivatives with ethoxymethylene compounds
    oshiko Miyamoto
    Structure      13C NMR   碳谱模拟图

    18 .     4-tolyl-2-phenylethane
    C15H16     相似度:55.5%
    Indian Journal of Chemistry          2009          48B          83-87
    New antifungal triterpenoid saponin from Launaea pinnatifida Cass.
    Yadava,R N; Chakravarti,N
    Structure      13C NMR   碳谱模拟图

    19 .     3-phenylpyridine
        相似度:55.5%
    Heterocycles          2010          80          1215-1226
    Stille Cross-Coupling Reactions of Aryl Mesylates and Tosylates Using a Biarylphosphine Based Catalyst System
    John R. Naber, Brett P. Fors, Xiaoxing Wu, Jonathon T. Gunn, and Stephen L. Buchwald
    Structure      13C NMR   碳谱模拟图

    20 .     4-benzyoylphenylazide
    C13H9N3O     相似度:55.5%
    Heterocycles          2009          77          521-532
    Cooper/HP20: Novel and Polymer-Supported Copper Catalyst for Huisgen Cycloaddition
    Yoshiaki Kitamura, Kazum taniguchi, Tomohiro Maegawa, Yasunari Monguchi, Yukio Kitade, and Hironao Sajiki
    Structure      13C NMR   碳谱模拟图

    21 .     5-benzoyldihydro-2(3H)-furanone
        相似度:55.5%
    Heterocycles          2005          65          649-656
    Hypervalent Iodine(III) Sulfonate Mediated Synthesis of 5-Benzoyldihydro-2(3H)-furanone in Ionic Solvent
    Rei-Sheu Hou, Huey-Min Wang, Yu-Chien Lin, and Ling-Ching Chen*
    Structure      13C NMR   碳谱模拟图

    22 .     5-amino-6-benzyl-2-O-trifluoromethanesulfonyloxypyrazine
    C12H11N3O3     相似度:55.5%
    Heterocycles          2005          65          843-856
    Novel Synthetic Route of Coelenterazines -2-: Synthesis of Various Dehydrocoelenterazine Analogs
    Nobuhiro Kondo, Masaki Kuse, Thumnoon Mutarapat, Nopporn Thasana, and Minoru Isobe*
    Structure      13C NMR   碳谱模拟图

    23 .     2-methylamino-3-iodoquinoline
        相似度:55.5%
    Heterocycles          2004          63          631-639
    Synthesis of Aromatic Ring Fused Pyrrole Derivatives by Palladium-catalyzed Annulation of o-Iodoarylamines with Allyl Acetate
    Chang Sung Hong, Jae Yong Seo, Eul Kgun Yum,* and Nack-Do Sung
    Structure      13C NMR   碳谱模拟图

    24 .     3-benzyl-5-nitro-3H-imidazole-4-carbaldehyde
    C11H9N3O3     相似度:55.5%
    Heterocycles          2004          63          1629-1635
    Synthesis of a New Imidazo[4,5-b]pyridin-5-one via a Vicarious Nucleophilic Substitution of Hydrogen
    Maxime D. Crozet, Clément Suspène, Mustapha Kaafarani, Michel P. Crozet, and Patrice Vanelle*
    Structure      13C NMR   碳谱模拟图

    25 .     (E)-3-benzenesulfonyl-2-propenol
    C9H10O3S     相似度:55.5%
    Heterocycles          2003          60          1173-1183
    Stereoselective Synthesis of trans-4,5-Disubstituted Oxazolidin-2-ones by Intramolecular Conjugate Addition of N-p-Toluenesulfonyl Carbamates
    Marco Ciclosi, Cristiana Fava, Roberta Galeazzi, Mario Orena,* José Sepúlveda-Arques, and Maria Eugenia González-Rosende*
    Structure      13C NMR   碳谱模拟图

    26 .     4-Phenylthiophene-2-carbaldehyde
        相似度:55.5%
    Bioorganic & Medicinal Chemistry          2008          16          1992-2010
    Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17α-hydroxylase-17,20-lyase (CYP17). Part I: Heterocyclic modifications of the core structure
    Carsten Jagusch, Matthias Negri, Ulrike E. Hille, Qingzhong Hu, Marc Bartels, Kerstin Jahn-Hoffmann, Mariano A.E. Pinto-Bazurco Mendieta, Barbara Rodenwaldt, Ursula Müller-Vieira, Dirk Schmidt, Thomas Lauterbach, Maurizio Recanatini, Andrea Cavalli, Rolf
    Structure      13C NMR   碳谱模拟图

    27 .     1-Phenyl-2-(phenylsulfanyl)ethanone
    C14H12OS     相似度:55.5%
    Helvetica Chimica Acta          2010          93          1610-1621
    Regioselective Synthesis of 5-(Arylsulfanyl)- and 5-(Benzylsulfanyl)-6-phenylsalicylates by One-Pot Cyclizations of 1,3-Bis(silyloxy)buta-1,3-dienes with 2-(Arylsulfanyl)- and 5-(Benzylsulfanyl)-3-ethoxy-1-phenylprop-2-en-1-ones
    Olumide Fatunsin, Mohanad Shkoor, Abdolmajid Riahi, Munawar Hussain, Alexander Villinger, Christine Fischer and Peter Langer
    Structure      13C NMR   碳谱模拟图

    28 .     (E)-3-Phenylacrylic acid ethyl ester
        相似度:55.5%
    Molecules          2010          15          315-330
    Palladium(II)/Cationic 2,2’-Bipyridyl System as a Highly Efficient and Reusable Catalyst for the Mizoroki-Heck Reaction in Water
    Shao-Hsien Huang, Jun-Rong Chen and Fu-Yu Tsai
    Structure      13C NMR   碳谱模拟图

    29 .     4-(4-Methylphenyl)-3-buten-2-ol
        相似度:55.5%
    Molecules          2010          15          407-419
    Gas-Phase Pyrolytic Reaction of 4-Aryl-3-buten-2-ols and Allyl Benzyl Ethers: Kinetic and Mechanistic Study
    Alya M. Al-Etaibi, Nouria A. Al-Awadi, Maher R. Ibrahim and Yehia A. Ibrahim
    Structure      13C NMR   碳谱模拟图

    30 .     [Au(3ppy)Cl3]
        相似度:55.5%
    Magnetic Resonance in Chemistry          2009          47          658-665
    1H, 13C and 15N nuclear magnetic resonance coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with phenylpyridines (pages 658–665)
    Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Lech Kozerski and Edward Szłyk
    Structure      13C NMR   碳谱模拟图

    31 .     Compound 8b
        相似度:55.5%
    Magnetic Resonance in Chemistry          2007          45          82-86
    Long-range JCH heteronuclear coupling constants in cyclopentane derivatives. Part II (pages 82–86)
    Valdemar Lacerda Jr, Gil V. J. da Silva, Cláudio F. Tormena, R. Thomas Williamson and Brian L. Marquez
    Structure      13C NMR   碳谱模拟图

    32 .     trans-[Pd(isoquin)2Cl2]
        相似度:55.5%
    Magnetic Resonance in Chemistry          2007          45          1059-1071
    Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Pd(II) and Pt(II) chloride complexes with quinoline, isoquinoline, and 2, 2′-biquinoline (pages 1059–1071)
    Leszek Pazderski, Jaromír Toušek, Jerzy Sitkowski, Lech Kozerski and Edward Szłyk
    Structure      13C NMR   碳谱模拟图

    33 .     compound 2f
    C10H9IN2     相似度:55.5%
    Tetrahedron Letters          2001          42          863-865
    A mild and efficient method for the regioselective iodination of pyrazoles
    Marı́a Isabel Rodrı́guez-Franco, Isabel Dorronsoro, Ana I Hernández-Higueras, Gema Antequera
    Structure      13C NMR   碳谱模拟图

    34 .     Bis(4-methylphenyl) phenylphosphonate
    C20H19O3P     相似度:55.5%
    Tetrahedron Letters          2001          42          6121-6124
    One-pot synthesis of unsymmetrical aryl methylphosphinates by insertion of dichlorophosphines into the O---Me bond of anisoles
    Graziano Baccolini, Carla Boga
    Structure      13C NMR   碳谱模拟图

    35 .     4-phenylbenzaldehyde
        相似度:55.5%
    Tetrahedron Letters          2001          42          6523-6526
    Suzuki cross-coupling of arylboronic acids mediated by a hydrosoluble Pd(0)/TPPTS catalyst
    Christophe Dupuis, Kouacou Adiey, Lise Charruault, Véronique Michelet, Monique Savignac, Jean-Pierre Genêt
    Structure      13C NMR   碳谱模拟图

    36 .     2-(methylthio)-5-(phenylthio)-furan
        相似度:55.5%
    Tetrahedron Letters          2002          43          9129-9132
    Synthesis and photooxygenation of 2-thiofuran derivatives: a mild and direct access to O,S-dimethyl and O-methyl-S-phenyl thiomaleates
    Yolanda Arroyo, Justo F. Rodrı́guez, M.Ascensión Sanz-Tejedor, Mercedes Santos
    Structure      13C NMR   碳谱模拟图

    37 .     N-(Thiochroman-4-yl)hydroxylamine
    C9H10NOS     相似度:55.5%
    Heterocycles          2011          82          1633-1644
    Regiospecific Rearrangement of Hydroxylamines to Secondary Amines Using Diisobutylaluminum Hydride
    Hidetsura Cho,* Kenji Sugimoto, Yusuke Iwama, Nakako Mitsuhashi, Kentaro Okano, and Hidetoshi Tokuyama*
    Structure      13C NMR   碳谱模拟图

    38 .     5-Chloro-2-(4-chlorophenyl)oxazole-4-carbaldehyde
    C12H7NO3     相似度:55.5%
    Heterocycles          2011          83          153-161
    A Convenient Method for Synthesis of 5-Chloro-2-aryloxazole-4-carbaldehyde with Vilsmeier Reagent
    Can Jin, Jun Chen, and Weike Su
    Structure      13C NMR   碳谱模拟图

    39 .     2,3-Dihydro-1,3-bis(4-tolylsulfonyl)-1Hbenzimidazol-2-one
    C21H18N2O5S2     相似度:55.5%
    Zeitschrift für Naturforschung B          2002          57          349-354
    N-Arylsulfonyl-benzimidazolones as Potential Hypoglycemic Agents
    I. Ahmad, S. Hameed, H. Duddeck, S. Lenzen, I. Rustenbeck, and R. Ahmad
    Structure      13C NMR   碳谱模拟图

    40 .     compound 1
    C21H26N2     相似度:55.5%
    Zeitschrift für Naturforschung B          2008          63          169-177
    A Study on Chiral Organocalcium Complexes: Attempts in Enantioselective Catalytic Hydrosilylation and Intramolecular Hydroamination of Alkenes
    F. Buch and S. Harder
    Structure      13C NMR   碳谱模拟图

    41 .     S-(3-Methoxyphenyl)thioacetate
    C9H10O2S     相似度:55.5%
    Tetrahedron          2012          68          179-189
    Insertion of arynes into the carbon–oxygen double bond of amides and its application into the sequential reactions
    Eito Yoshioka, Hideto Miyabe
    Structure      13C NMR   碳谱模拟图

    42 .     compound 1c
        相似度:55.5%
    Journal of the Chemical Society, Perkin Transactions 1          1993                   2747-2755
    2,4-Dihalogenoquinolines. Synthesis, orientation effects and 1H and 13C NMR spectral studies
    Alan G. Osborne, Jill M. Buley, Helen Clarke, Rachel C. H. Dakin and Paul I. Price
    Structure      13C NMR   碳谱模拟图

    43 .     1,2-Di-p-tolylethane-1,2-dione
        相似度:55.5%
    European Journal of Organic Chemistry          2012                   329-333
    Iodine-Catalyzed Synthesis of 1,2-Diaryldiketones by Oxidative Cleavage of 1,3-Diaryldiketones with DMSO
    Yu Yuan and Haitao Zhu
    Structure      13C NMR   碳谱模拟图

    44 .     1,4-Bis(4-fluorophenylthio)-2,3,5,6-tetrafluorobenzene
    C18H8F6S2     相似度:55.5%
    European Journal of Organic Chemistry          2012                   1953-1959
    Copper-Catalyzed Direct Thiolation of Pentafluorobenzene with Diaryl Disulfides or Aryl Thiols by C–H and C–F Bond Activation
    Chuanming Yu, Cuiling Zhang and Xiangjun Shi
    Structure      13C NMR   碳谱模拟图

    45 .     1,4-Bis(3-fluorophenylthio)-2,3,5,6-tetrafluorobenzene
    C18H8F6S2     相似度:55.5%
    European Journal of Organic Chemistry          2012                   1953-1959
    Copper-Catalyzed Direct Thiolation of Pentafluorobenzene with Diaryl Disulfides or Aryl Thiols by C–H and C–F Bond Activation
    Chuanming Yu, Cuiling Zhang and Xiangjun Shi
    Structure      13C NMR   碳谱模拟图

    46 .     N-(2-Mercaptoethyl)-2-phenylacetamide
        相似度:55.5%
    European Journal of Organic Chemistry          2012                   1626-1632
    Solvent-Free Tandem Synthesis of 2-Thiazolines and 2-Oxazolines Catalyzed by a Copper Catalyst
    Xiangnan Li, Baoyue Zhou, Jin Zhang, Mengyao She, Shujuan An, Haixia Ge, Cong Li, Bing Yin, Jianli Li and Zhen Shi
    Structure      13C NMR   碳谱模拟图

    47 .     Benzylphenyl-N-(1,2,4-triazol-4-yl)sulfilimine
    C15H14N4S     相似度:55.5%
    European Journal of Organic Chemistry          2012                   1554-1562
    Sulfur–Nitrogen and Carbon–Nitrogen Bond Formation by Intermolecular Imination and Amidation without Catalyst
    Wen Bo Ma, Sheng Nan Li, Zhong Hua Zhou, Heng Shui Shen, Xue Li, Qiu Sun, Ling He and Ying Xue
    Structure      13C NMR   碳谱模拟图

    48 .     compound 8
    C19H12O2     相似度:55.5%
    Heterocycles          2001          54          159-170
    Synthesis and Properties of anti-6,15-Epithia-8,13-methanobenzo[e][14]annulene-7,14-dione, anti-5,14-Epithia-7,12-methanofuro[3,4-e][14]annulene-5,13-diones, and Their Ionic Species
    Shengli Zuo, Shigeyasu Kuroda,* Mitsunori Oda,* Shin-ya Kuramoto, Yoshihiro Mizukami, Atsushi Fukuta, Yukiyasu Hirano, Teruhiko Nishikawa, Shinji Furuta, Ryuta Miyatake, Sha. I. Shaheen, Takanori Kajioka, and Mayumi Kyogoku
    Structure      13C NMR   碳谱模拟图

    49 .     compound 5b
        相似度:55.5%
    Heterocycles          2001          55          127-133
    1H- and 13C-NMR Investigations on σ-Adduct Formation of 1,2,4-Triazine 4-Oxides and 3-Chloro-6-phenyl-1,2,4-triazine with Liquid Ammonia and Alkylamines
    Andrzej Rykowski,* Oleg N. Chupakhin, Dmitry N. Kozhevnikov, Valery N.Kozhevnikov, Vladimir L. Rusinov, and Henk C. Van der Plas
    Structure      13C NMR   碳谱模拟图

    50 .     N-(p-chlorophenyl)-5-methylene-1,3-oxazolidine-2,4-dione
    C10H6NO3Cl     相似度:55.5%
    Heterocycles          2001          55          469-485
    Novel Ring Transformation of Dihydroselenines to Selenabicyclo[3.1.0]hexenes
    Eiji Honda, Shin-ichi Watanabe, Tatsunori Iwamura, and Tadashi Kataoka
    Structure      13C NMR   碳谱模拟图

    51 .     2-(2-chlorophenylamino)-6H-1,3-thiazin-6-one
    C10H7N2OClS     相似度:55.5%
    Heterocycles          2000          53          2667-2679
    [4+2] Cycloaddition Reactions between 2,4-Diamino-1-thia-3-azabutadienes and Ketene. Synthesis of New 1,3-Thiazin-6-ones, 1,3-Thiazine-6-thiones and 2-Thioxopyrimidin-4-ones
    Cyrille Landreau, David Deniaud, Françoise Reliquet, Alain Reliquet, and Jean Claude Meslin*
    Structure      13C NMR   碳谱模拟图

    52 .     compound 14
    C24H20N2O2Cl2     相似度:55.5%
    Heterocycles          2000          53          135-142
    Preparation and Spectral Properties of the Nitrogen Analogs of (E)-5,5'-Diaryl- 3,3'-bifuranylidene-2,2'-diones and Their Derivatives
    Hajime Irikawa* and Norihide Adachi
    Structure      13C NMR   碳谱模拟图

    53 .     5-phenylthiopent-3-yn-2-ol
        相似度:55.5%
    Heterocycles          2000          53          2055-2066
    Stereoselective Synthesis of (Z )-α-Phenoxymethylene-γ-butyrolactone and Its Sulfur Analogues from 2-Propynyloxy- or 2-Propynylthiobenzene
    Fen-Tair Luo,* Sheng-Li Ko, Lijun Liu, and Hui Chen
    Structure      13C NMR   碳谱模拟图

    54 .     2-(2-chlorophenyl)methylimidazole
    C10H9N2Cl     相似度:55.5%
    Tetrahedron          2004          60          9857-9862
    A novel synthetic method for 2-arylmethyl substituted imidazolines and imidazoles from 2-aryl-1,1-dibromoethenes
    Dal Ho Huh, Hoejin Ryu, Young Gyu Kim
    Structure      13C NMR   碳谱模拟图

    55 .     (2S)-2,3-epoxy-3-methyl-1-phenylbutan-1-one
    C11H12O2     相似度:55.5%
    The Journal of Organic Chemistry          2005          70          9430-9435
    Absolute Stereochemistry of Citrinadins A and B from Marine-Derived Fungus
    Takao Mugishima, Masashi Tsuda, Yuu Kasai, Haruaki Ishiyama, Eri Fukushi, Jun Kawabata, Masayuki Watanabe, Kenichi Akao, and Jun'ichi Kobayashi
    Structure      13C NMR   碳谱模拟图

    56 .     (2R)-2,3-epoxy-3-methyl-1-phenylbutan-1-one
    C11H12O2     相似度:55.5%
    The Journal of Organic Chemistry          2005          70          9430-9435
    Absolute Stereochemistry of Citrinadins A and B from Marine-Derived Fungus
    Takao Mugishima, Masashi Tsuda, Yuu Kasai, Haruaki Ishiyama, Eri Fukushi, Jun Kawabata, Masayuki Watanabe, Kenichi Akao, and Jun'ichi Kobayashi
    Structure      13C NMR   碳谱模拟图

    57 .     compound 3b
        相似度:55.5%
    Indian Journal of Chemistry          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

    58 .     compound A
    C14H12OS     相似度:55.5%
    Russian Journal of Organic Chemistry          2009          45          1509-1514
    Asymmetric sulfoxidation of phenacyl phenyl sulfide using chiral vanadium(IV) complexes
    E. V. Ashikhmina, S. A. Rubtsova, I. A. Dvornikova and A. V. Kuchin
    Structure      13C NMR   碳谱模拟图

    59 .     2-(4-isopropylphenyl)ethanol
    C11H16O     相似度:55.5%
    Russian Journal of Organic Chemistry          2004          40          1432-1436
    Transformations of epoxide derived from nopol over askanite-bentonite clay
    I. V. Il’ina, K. P. Volcho, D. V. Korchagina, N. F. Salakhutdinov and V. A. Barkhash
    Structure      13C NMR   碳谱模拟图

    60 .     N-benzyl-6-chloro-N-nitrosopyrimidin-4-amine
    C11H10ClN4O     相似度:55.5%
    Tetrahedron          2012          68          2294-2298
    Effect of substituent structure on pyrimidine electrophilic substitution: a rebuttal
    Virginija Jakubkienė, Inga Čikotienė
    Structure      13C NMR   碳谱模拟图

    61 .     S-2-nitro-1-phenylethyl thiolacetate
        相似度:55.5%
    Tetrahedron          2012          68          2513-2522
    Facile synthesis of various substituted taurines, especially syn- and anti-1,2-disubstituted taurines, from nitroolefins
    Ning Chen, Jiaxi Xu
    Structure      13C NMR   碳谱模拟图

    62 .     S-2-nitro-1-methyl-1-phenylethyl thiolacetate
    C11H13NO3S     相似度:55.5%
    Tetrahedron          2012          68          2513-2522
    Facile synthesis of various substituted taurines, especially syn- and anti-1,2-disubstituted taurines, from nitroolefins
    Ning Chen, Jiaxi Xu
    Structure      13C NMR   碳谱模拟图

    63 .     dichloro(3,5-diphenyl-4H-1,2,6-thiadiazin-4-ylidene)methane
    C16H10Cl2N2S     相似度:55.5%
    Tetrahedron          2012          68          2590-2597
    Substitution at C-4 in 3,5-disubstituted 4H-1,2,6-thiadiazin-4-ones
    Heraklidia A. Ioannidou, Panayiotis A. Koutentis
    Structure      13C NMR   碳谱模拟图

    64 .     6-benzyl-1,3,4-thiadiazin-5(6H)-one
    C10H10N2OS     相似度:55.5%
    Tetrahedron          2012          68          3616-3625
    Reactions of α-mercaptocarboxylic acid hydrazides with triethyl orthoesters: synthesis of 1,3,4-thiadiazin-5(6H)-ones and 1,3,4-oxadiazoles
    Agnieszka Kudelko
    Structure      13C NMR   碳谱模拟图

    65 .     2-ethyl-6-phenyl-1,3,4-thiadiazin-5(6H)-one
    C11H12N2OS     相似度:55.5%
    Tetrahedron          2012          68          3616-3625
    Reactions of α-mercaptocarboxylic acid hydrazides with triethyl orthoesters: synthesis of 1,3,4-thiadiazin-5(6H)-ones and 1,3,4-oxadiazoles
    Agnieszka Kudelko
    Structure      13C NMR   碳谱模拟图

    66 .     (4-methoxyphenyl)(phenyl)sulfane
        相似度:55.5%
    European Journal of Organic Chemistry          2011                   7331-7338
    A Highly Efficient Method for the Copper-Catalyzed Selective Synthesis of Diaryl Chalcogenides from Easily Available Chalcogen Sources
    Yaming Li, Caiping Nie, Huifeng Wang, Xiaoying Li, Francis Verpoort and Chunying Duan
    Structure      13C NMR   碳谱模拟图

    67 .     4-methoxybiphenyl
        相似度:55.5%
    European Journal of Organic Chemistry          2011                   7174-7181
    (NHC)Palladium Complexes from Hydroxy-Functionalized Imidazolium Salts as Catalyst for the Microwave-Accelerated Fluorine-Free Hiyama Reaction
    Itziar Peñafiel, Isidro M. Pastor, Miguel Yus, Miguel A. Esteruelas, Montserrat Oliván and Enrique Oñate
    Structure      13C NMR   碳谱模拟图

    68 .     4-(phenylselanyl)benzaldehyde
        相似度:55.5%
    European Journal of Organic Chemistry          2011                   1940-1946
    Magnetically Separable and Reusable Copper Ferrite Nanoparticles for Cross-Coupling of Aryl Halides with Diphenyl Diselenide
    Kokkirala Swapna, Sabbavarapu Narayana Murthy and Yadavalli Venkata Durga Nageswar
    Structure      13C NMR   碳谱模拟图

    69 .     4-fluoro-2-(chloroseleno)benzoylchloride
        相似度:55.5%
    Bioorganic & Medicinal Chemistry          2012          20          3816-3827
    Inhibition of thioredoxin reductase by a novel series of bis-1,2-benzisoselenazol-3(2H)-ones: Organoselenium compounds for cancer therapy
    Jie He, Dongdong Li, Kun Xiong, Yongjie Ge, Hongwei Jin, Guozhou Zhang, Mengshi Hong, Yongliang Tian, Jin Yin, Huihui Zeng
    Structure      13C NMR   碳谱模拟图

    70 .     4-phenylbenzaldehyde
        相似度:55.5%
    European Journal of Organic Chemistry          2010                   6824-6830
    P-Phenyl-2,2,6,6-tetramethylphosphorinan-4-ol: An Air-Stable P,O-Type Ligand for Palladium-Mediated Cross-Coupling Reactions
    Ehsan Ullah, James McNulty, Vladimir Larichev and Al J. Robertson
    Structure      13C NMR   碳谱模拟图

    71 .     2-[bis(4-methoxyphenyl)amino]phenol
        相似度:55.5%
    European Journal of Organic Chemistry          2010                   6967-6973
    Copper-Catalyzed Direct Synthesis of Di- and Triphenylamines: A Dramatic Accelerating Effect of 2-Aminophenols
    Yaming Li, Huifeng Wang, Linlin Jiang, Fangfang Sun, Xinmei Fu and Chunying Duan
    Structure      13C NMR   碳谱模拟图

    72 .     N-methoxy-N-methyl-2-(pentafluorophenylethyl)benzamide
    C17H14NO2F5     相似度:55.5%
    European Journal of Organic Chemistry          2010                   4991-5003
    Weinreb Amide Based Building Blocks for Convenient Access to Analogues of Phenstatin
    Balasubramaniam Sivaraman and Indrapal Singh Aidhen
    Structure      13C NMR   碳谱模拟图

    73 .     4-phenylsulfanylanisol
        相似度:55.5%
    European Journal of Organic Chemistry          2010                   2324-2329
    A Highly Efficient, Ligand-Free, and Recyclable Cu2S-Catalyzed Coupling of Aryl Iodides with Diaryl Disulfides
    Huifeng Wang, Linlin Jiang, Tao Chen and Yaming Li
    Structure      13C NMR   碳谱模拟图

    74 .     4-(phenylthio)benzonitrile
        相似度:55.5%
    European Journal of Organic Chemistry          2010                   2324-2329
    A Highly Efficient, Ligand-Free, and Recyclable Cu2S-Catalyzed Coupling of Aryl Iodides with Diaryl Disulfides
    Huifeng Wang, Linlin Jiang, Tao Chen and Yaming Li
    Structure      13C NMR   碳谱模拟图

    75 .     6-chloro-3-(trifluoromethoxy)picolinic acid
    C7H3ClF3NO3     相似度:55.5%
    European Journal of Organic Chemistry          2010                   6043-6066
    A General Approach to (Trifluoromethoxy)pyridines: First X-ray Structure Determinations and Quantum Chemistry Studies
    Baptiste Manteau, Pierre Genix, Lydia Brelot, Jean-Pierre Vors, Sergiy Pazenok, Florence Giornal, Charlotte Leuenberger and Frédéric R. Leroux
    Structure      13C NMR   碳谱模拟图

    76 .     3,10-dichloro-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene
    C16H14Cl2     相似度:55.5%
    European Journal of Organic Chemistry          2010                   120-133
    Synthesis of Rotationally Restricted and Modular Biphenyl Building Blocks
    David Vonlanthen, Jürgen Rotzler, Markus Neuburger and Marcel Mayor
    Structure      13C NMR   碳谱模拟图

    77 .     (S)-5-(benzoyl)dihydro-2(3H)-furanone
        相似度:55.5%
    Australian Journal of Chemistry          2002          55          625-627
    Bioactive Butyrolactones from Fungi
    J. Hargreaves, J. Park, E. L. Ghisalberti , K. Sivasithamparam, B. W. Skelton and A. H. White
    Structure      13C NMR   碳谱模拟图

    78 .     benzophenazine
        相似度:55.5%
    Journal of Medicinal Chemistry          2010          53          8688-8699
    Potential Chemopreventive Agents Based on the Structure of the Lead Compound 2-Bromo-1-hydroxyphenazine, Isolated from Streptomyces Species, Strain CNS284
    Martin Conda-Sheridan, Laura Marler, Eun-Jung Park, Tamara P. Kondratyuk, Katherine Jermihov, Andrew D. Mesecar, John M. Pezzuto, Ratnakar N. Asolkar, William Fenical, and Mark Cushman
    Structure      13C NMR   碳谱模拟图

    79 .     1-phenylpropan-1-one oxime
    C9H11NO     相似度:55.5%
    Helvetica Chimica Acta          2012          95          1758-1772
    Metal-Free 2,2,6,6-Tetramethylpiperidin-1-yloxy Radical (TEMPO) Catalyzed Aerobic Oxidation of Hydroxylamines and Alkoxyamines to Oximes and Oxime Ethers
    Sebastian Wertz and Armido Studer
    Structure      13C NMR   碳谱模拟图

    80 .     3-chloro-4-iodoquinoline
    C9H5ClIN     相似度:55.5%
    Bioorganic & Medicinal Chemistry          2012          20          6559-6578
    Synthesis and structure–activity relationships of 8-substituted-2-aryl-5-alkylaminoquinolines: Potent, orally active corticotropin-releasing factor-1 receptor antagonists
    Kunitoshi Takeda, Taro Terauchi, Minako Hashizume, Kohdoh Shikata, Ryota Taguchi, Kaoru Murata-Tai, Masae Fujisawa, Yoshinori Takahashi, Kogyoku Shin, Mitsuhiro Ino, Hisashi Shibata, Masahiro Yonaga
    Structure      13C NMR   碳谱模拟图

    81 .     3-chloro-2-iodoquinoline
    C9H5ClIN     相似度:55.5%
    Bioorganic & Medicinal Chemistry          2012          20          6559-6578
    Synthesis and structure–activity relationships of 8-substituted-2-aryl-5-alkylaminoquinolines: Potent, orally active corticotropin-releasing factor-1 receptor antagonists
    Kunitoshi Takeda, Taro Terauchi, Minako Hashizume, Kohdoh Shikata, Ryota Taguchi, Kaoru Murata-Tai, Masae Fujisawa, Yoshinori Takahashi, Kogyoku Shin, Mitsuhiro Ino, Hisashi Shibata, Masahiro Yonaga
    Structure      13C NMR   碳谱模拟图

    82 .     3-chloro-2-iodo-5-nitroquinoline
    C9H4ClIN2O2     相似度:55.5%
    Bioorganic & Medicinal Chemistry          2012          20          6559-6578
    Synthesis and structure–activity relationships of 8-substituted-2-aryl-5-alkylaminoquinolines: Potent, orally active corticotropin-releasing factor-1 receptor antagonists
    Kunitoshi Takeda, Taro Terauchi, Minako Hashizume, Kohdoh Shikata, Ryota Taguchi, Kaoru Murata-Tai, Masae Fujisawa, Yoshinori Takahashi, Kogyoku Shin, Mitsuhiro Ino, Hisashi Shibata, Masahiro Yonaga
    Structure      13C NMR   碳谱模拟图

    83 .     5-chloro-N-isopropyl-2-nitrobenzamide
    C10H11ClN2O3     相似度:55.5%
    Bioorganic & Medicinal Chemistry          2012          20          6260-6275
    Development and characterization of endocannabinoid hydrolases FAAH and MAGL inhibitors bearing a benzotriazol-1-yl carboxamide scaffold
    Ludovica Morera, Geoffray Labar, Giorgio Ortar, Didier M. Lambert
    Structure      13C NMR   碳谱模拟图

    84 .     6-chloro-5,8-quinolinedione
        相似度:55.5%
    Organic Magnetic Resonance          1983          21          168-172
    Aza-polycyclic aromatic hydrocarbons: 1—Elucidation of the regiochemistry of 1,2,3,4-tetrahydroazabenz-[a]anthracene-7,12-diones by long-range carbon–proton coupling constants
    Arthur Haber and Bruce D. Hilton
    Structure      13C NMR   碳谱模拟图

    85 .     2-acetylphenyl hypobromoselenoite
        相似度:55.5%
    Organic Magnetic Resonance          1983          21          461-462
    Carbon-13 NMR spectra of some o-carbonyl benzeneselenenyl derivatives
    Gabriel Llabrès, Marcel Baiwir, Lèon Christiaens and Jean-Louis Piette
    Structure      13C NMR   碳谱模拟图

    86 .     1-phenylethanol
        相似度:55.5%
    Organic Magnetic Resonance          1984          22          428-430
    Glucosidation shifts of allylic and benzylic alcohols in 13C NMR spectroscopy
    Isao Horibe, Shujiro Seo, Yohko Yoshimura and Kazuo Tori
    Structure      13C NMR   碳谱模拟图

    87 .     2-(2-Nitrobenzyl)malononitrile
        相似度:55.5%
    Tetrahedron          2012          68          5053-5059
    Study on comparison of reducing ability of three organic hydride compounds
    Yi-Si Feng, Chun-Yan Yang, Qiang Huang, Hua-Jian Xu
    Structure      13C NMR   碳谱模拟图

    88 .     2,6-Diphenylbenzaldehyde
        相似度:55.5%
    Tetrahedron          2012          68          5179-5184
    Catalytic C–H bond arylation of aryl imines and oxazolines in water with ruthenium(II)-acetate catalyst
    Bin Li, Karthik Devaraj, Christophe Darcel, Pierre H. Dixneuf
    Structure      13C NMR   碳谱模拟图

    89 .     Ethyl trans-Cinnamate
        相似度:55.5%
    Journal of Agricultural and Food Chemistry          1993          41          153-156
    Potential anticarcinogenic natural products isolated from lemongrass oil and galanga root oil
    Guo Qiang. Zheng, Patrick M. Kenney, Luke K. T. Lam
    Structure      13C NMR   碳谱模拟图

    90 .     2,3-Diiodo-1,4-diphenyl-1,4-dihydro-1,4-epoxynaphthalene
    C22H14I2O     相似度:55.5%
    Molecules          2012          17          8795-8803
    Communication: On the Reaction of 1,3-Diphenylisobenzofuran and (2-Iodoethynyl)(phenyl)iodonium Triflate. A Unique Case of Oxygen Transfer from the Diels-Alder Adduct to the Diene
    Pelayo Camps, Tània Gómez, David Lozano, Teresa Calvet and Mercè Font-Bardia
    Structure      13C NMR   碳谱模拟图

    91 .     7-Chloro-4,4-difluoroisoquinoline-1,3(2H,4H)-dione
    C9H4ClF2NO2     相似度:55.5%
    Tetrahedron          2012          68          6941-6947
    Synthesis of gem-difluorinated 1,6-naphthyridine-5,7-diones
    Karel Piron, Sara Kenis, Guido Verniest, Riccardo Surmont, Jan Willem Thuring, Peter ten Holte, Frederik Deroose, Norbert De Kimpe
    Structure      13C NMR   碳谱模拟图

    92 .     brevetoxin B
    C50H70O14     相似度:55.5%
    Journal of the American Chemical Society          1981          103          6773-6775
    Isolation and structure of brevetoxin B from the "red tide" dinoflagellate Ptychodiscus brevis (Gymnodinium breve)
    Yong-Yeng Lin, Martin Risk, Sammy M. Ray, Donna Van Engen, Jon Clardy, Jerzy Golik, John C. James, Koji Nakanishi
    Structure      13C NMR   碳谱模拟图

    93 .     quinoline
        相似度:55.5%
    Australian Journal of Chemistry          1980          33          499-508
    13C and some 15N N.M.R. spectra of heteroaromatic molecules containing bridgehead nitrogen atoms
    AJ Jones, P Hanisch, ML Heffernan and GM Irvine
    Structure      13C NMR   碳谱模拟图
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