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26.46, 55.56, 55.87, 99.32, 103.96, 114.59, 128.42, 149.03, 155.86, 174.64
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a89812: 金币+15, ★★★很有帮助 2013-05-16 08:22:34
1 .     6-(3,4-dimetoxyphenyl)dibenzo[d,f]-1,3-dioxepine
C21H18O4     相似度:60%
Heterocycles          2007          71          635-645
Chemoselective Synthesis of New Dibenzo[d, f]-1, 3-dioxepines and 12H-Dibenzo[d, g]-1, 3-dioxocines
Graziella Tocco, Michela Begala, Gabriele Meli, and Gianni Podda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     2-allyl-3-methoxyphenol
C10H12O2     相似度:60%
Heterocycles          2002          57          1997-2010
A New Synthesis of Substituted 2,5-Dihydrobenzooxepines
Eng-Chi Wang,* Ming-Kun Hsu, Yu-Li Lin, and Keng-Shiang Huang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     3,5-dimethoxy-4'-hydroxyl-trans-stilbene
    相似度:54.5%
Bioorganic & Medicinal Chemistry          2010          18          5352-5366
Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer
Bin Sun, Juma Hoshino, Katie Jermihov, Laura Marler, John M. Pezzuto, Andrew D. Mesecar, Mark Cushman
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     3-Methyl-4-phenyl-2-(2,2,2-trifluoroacetamido)-(2S,3R)-pent-4-enoic Acid
C14H14F3NO3     相似度:54.5%
Journal of Natural Products          2011          74          1003-1008
Antineoplastic Agents. 590. X-ray Crystal Structure of Dolastatin 16 and Syntheses of the Dolamethylleuine and Dolaphenvaline Units
George R. Pettit, Thomas H. Smith, Jun-Ping Xu, Delbert L. Herald, Erik J. Flahive, Collin R. Anderson, Paul E. Belcher, and John C. Knight
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     apocynin
    相似度:50%
China Journal of Chinese Materia Medica          2009          34          2613-2615
Chemical constituents of flowers from Polygonum orientale
LI Yongjun, HE Xun, LIU Zhibao, HUANG Yong, LAN Yanyu, WANG Aimin, WANG Yonglin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     2,5-dihydroxy-4-methoxy-acetophenone
    相似度:50%
Korean Journal of Pharmacognosy          1999          30(3)          340-344
Isolation of Antimicrobial Components from Moutan Cortex
Kwon, Oh-Geun; Kim, Sung-Hwan; Chun, Byung-Yeol; Park, Chae-Kyu; Son, Kun-Ho
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     4-(2-Bromoacetyl)-3,5-dimethoxyphenyl pivalate
C15H19O5Br     相似度:50%
Canadian Journal of Chemistry          2011          89          364–384
p-Hydroxyphenacyl photoremovable protecting groups — Robust photochemistry despite substituent diversity
Richard S. Givens, Kenneth Stensrud, Peter G. Conrad II, Abraham L. Yousef, Chamani Perera, Sanjeewa N. Senadheera, Dominik Heger, and Jakob Wirz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     2,5-Dimethoxyphenol
C8H10O3     相似度:50%
Chemistry of Natural Compounds          2012          48          108-109
SECONDARY METABOLITES FROM THE STEMS OF Synsepalum dulcificum
Ming-Jen Cheng,Zi-Ling Hong,and Chung-Yi Chen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     4-trifluoromethyl-6-(4-methoxyphenyl)-2-aminopyrimid-ine
C12H10N3F3O     相似度:50%
Journal of Heterocyclic Chemistry          2008          45          483-487
One-pot synthesis of N2-aminoprotected 6-substituted and cycloalka[d] 4-trifluoromethyl-2-acetylaminopyrimidines
Helio G. Bonacorso,Adriana Ferla,Cleber A. Cechinel,Nilo Zanatta and Marcos A. P. Martins
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     5-methoxy-2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1H-benzimidazole
C14H17N3O     相似度:50%
Journal of Heterocyclic Chemistry          2003          40          37-44
Synthesis of 2-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)benzimidazoles
Myung Hee Jung,Jung Mee Park,Ihl-Young Choi Lee and Mija Ahn
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 17j
C8H5IN2O     相似度:50%
Heterocycles          2009          78          2477-2488
Synthesis of Halogenated 4H-Pyrido[1,2-a]pyrimidin-4-ones
Annamária Molnár, Ferenc Faigl, Benjamin Podányi, Zoltán Finta, László Balázs, and István Hermecz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     (2E,4E)-isopropyl 2-cyanohexa-2,4-dienoate
C10H13NO2     相似度:50%
Heterocycles          2008          76          1485-1495
Construction of Chiral Quaternary Carbon Centers via Palladium-Catalyzed Asymmetric Deconjugative Allylation
Hiroki Yamamoto, Yoshihiro Oonishi, and Yoshihiro Sato
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     compound 8d
C10H12O5     相似度:50%
Tetrahedron Letters          2004          45          2377-2380
Captodative olefins: methyl 2-aryloxy-3-dimethyl-aminopropenoates and their application in a new synthesis of benzofurans
Marı́a del Carmen Cruz, Joaquı́n Tamariz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     compound 2d
C10H8N2OS     相似度:50%
Tetrahedron Letters          2005          46          5831-5834
Regioselective thiocyanation of aromatic and heteroaromatic compounds using ammonium thiocyanate and oxone
Guaili Wu, Qiang Liu, Yinglin Shen, Wentao Wu, Longmin Wu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     compound 5
C11H15N5O2     相似度:50%
Tetrahedron Letters          2005          46          6005-6009
Selective functional group transformation using guanidine: the conversion of an ester group into an amide in vinylogous ester-aldehydes of imidazole
Ravi K. Ujjinamatada, Ramachandra S. Hosmane
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     compound 40
C14H18N4O5     相似度:50%
Archiv der Pharmazie          2008          341          247-261
Synthesis and Local Anesthetic Activity of Some Novel N-[5-(4-Substituted)phenyl-1,3,4-oxadiazol-2-yl]-2-(Substituted)-Acetamides
Harish Rajak, Murli Dhar Kharya and Pradeep Mishra
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     compound 41
C14H16N4O4     相似度:50%
Archiv der Pharmazie          2008          341          247-261
Synthesis and Local Anesthetic Activity of Some Novel N-[5-(4-Substituted)phenyl-1,3,4-oxadiazol-2-yl]-2-(Substituted)-Acetamides
Harish Rajak, Murli Dhar Kharya and Pradeep Mishra
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     5-Chloromethyl-3-cyano-7-hydroxypyrazolo[1,5-a]pyrimidine
C8H5ClN4O     相似度:50%
Archiv der Pharmazie          2006          339          593-597
Synthesis and Anti-tumor Activities of Novel Pyrazolo[1,5-a]pyrimidines
Juan Li, Yan Fang Zhao, Xiang Lin Zhao, Xiao Ye Yuan and Ping Gong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     5-Hydroxy-4-oxo-4H-pyran-2-carbaldehyde
    相似度:50%
Archiv der Pharmazie          2006          339          111-114
Synthesis of Tyrosinase Inhibitory Kojic Acid Derivative
Yong Sup Lee, Jang Hyun Park, Min Hwan Kim, Seon Hee Seo and Hyoung Ja Kim
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     4-Bromomethyl-3-pivaloyloxy-5-(4-methoxyphenyl)isoxazole
C16H18NO4Br     相似度:50%
Archiv der Pharmazie          2001          334          62-68
Structural Determinants for AMPA Agonist Activity of Aryl or Heteroaryl Substituted AMPA Analogues. Synthesis and Pharmacology
Ulrik S. Sørensen, Erik Falch, Tine B. Stensbøl, Jerzy W. Jaroszewski, Ulf Madsen and Povl Krogsgaard-Larsen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     2-Methoxytyrosine
C10H13NO4     相似度:50%
Bioorganic & Medicinal Chemistry          2000          8          1263-1268
Tyrosine analogues as alternative substrates for protein tyrosine kinase Csk: Insights into substrate selectivity and catalytic mechanism
Kyonghee Kim, Keykavous Parang, Ontario D Lau, Philip A Cole
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     N1-(1-Methyl-4-piperidinyl)-4-toluylhydrazine
C13H21N3     相似度:50%
Bioorganic & Medicinal Chemistry          2000          8          2511-2518
Radiosynthesis of [18F]Lu29-024: A potential PET ligand for brain imaging of the serotonergic 5-HT2 receptor
Franck Sobrio, Mostafa Amokhtari, Fabienne Gourand, Martine Dhilly, François Dauphin, Louisa Barré
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     4-[(3,5-Diamino-1H-pyrazol-4-yl)methyl]phenol
C10H12N4O     相似度:50%
Heterocycles          2011          83          371-383
The Synthesis of Some Derivatives Based on the 4-Benzyl-1H-pyrazole-3,5-diamine Core
Lukáš Jedinák, Vladimír Kryštof, and Petr Cankař
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     4-(4-Methoxyphenyl)thiazol-2-amine
C10H10N2SO     相似度:50%
Tetrahedron          2012          68          173-178
I2/CuO-catalyzed tandem cyclization strategy for one-pot synthesis of substituted 2-aminothiozole from easily available aromatic ketones/α,β-unsaturated ketones and thiourea
Yan-Ping Zhu, Jing-Jing Yuan, Qin Zhao, Mi Lian, Qing-He Gao, Mei-Cai Liu, Yan Yang, An-Xin Wu
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     2-(4,5-Bis(butylthio)-1,3-dithiol-2-ylidene)-4,7-dimethoxy-[1,3]dithiolo[4,5-d]pyridazine
C18H24N2O2S6     相似度:50%
Tetrahedron          2012          68          1782-1789
The pyridazine–tetrathiafulvalene conjugates: synthesis, photophysical, and electrochemical properties
Ningjuan Zheng, Bao Li, Changwei Ma, Tie Chen, Yuhe Kan, Bingzhu Yin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     (E)-4-Hydroxy-(3',5')-dimethoxystilbene
    相似度:50%
Tetrahedron          2012          68          3899-3907
Syntheses of polyfunctionalized resveratrol derivatives using Wittig and Heck protocols
Malik Chalal, Dominique Vervandier-Fasseur, Philippe Meunier, Hélène Cattey, Jean-Cyrille Hierso
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     4-Chloro-2,5-dimethoxybenzaldehyde
C9H9O3Cl     相似度:50%
Marine Drugs          2012          10          1103-1125
Geographic Variability and Anti-Staphylococcal Activity of the Chrysophaentins and Their Synthetic Fragments
Jessica L. Keffer, Jared T. Hammill, John R. Lloyd, Alberto Plaza, Peter Wipf and Carole A. Bewley
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     6-Methoxy-2-(4-nitrophenyl)benzothiazole
C14H10N2O3S     相似度:50%
Molecules          2012          17          6011-6019
Green and Highly Efficient Synthesis of 2-Arylbenzothiazoles Using Glycerol without Catalyst at Ambient Temperature
Kamal Usef Sadek, Ramadan Ahmed Mekheimer, Afaf Mohamed Abdel Hameed, Fatma Elnahas and Mohamed Hilmy Elnagdi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     5,6-Dihydroxy-3-(hydroxymethylene)benzofuran-2(3H)-one
C9H6O5     相似度:50%
European Journal of Organic Chemistry          2012                   380-390
Coloured Artefacts Formed by Oxidation of Benzene-1,2,4-triol and β-Dopa During the Extraction of Cortinarius violaceus (Agaricales) with Alcohols
Franz von Nussbaum, Matthias Rüth, Peter Spiteller, Tina Hübscher-Weissert, Florian Löbermann, Kurt Polborn and Wolfgang Steglich
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     3,5-dimethoxy-4'-amino-trans-stilbene
C16H17O2N     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          5352-5366
Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer
Bin Sun, Juma Hoshino, Katie Jermihov, Laura Marler, John M. Pezzuto, Andrew D. Mesecar, Mark Cushman
Structure      13C NMR   碳谱模拟图
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