Automatic Extraction of Chemical Knowledge from Organic Reaction Data: Addition of Carbon-Hydrogen Bonds to Carbon-Carbon Double Bonds

Lingran Chen; Johann Gasteiger; John R. Rose

doi:10.1021/jo00129a047

Automatic Extraction of Chemical Knowledge from Organic Reaction Data: Addition of Carbon-Hydrogen Bonds to Carbon-Carbon Double Bonds

The Journal of Organic Chemistry ◽

10.1021/jo00129a047 ◽

1995 ◽

Vol 60 (24) ◽

pp. 8002-8014 ◽

Cited By ~ 12

Author(s):

Lingran Chen ◽

Johann Gasteiger ◽

John R. Rose

Keyword(s):

Hydrogen Bonds ◽

Automatic Extraction ◽

Double Bonds ◽

Organic Reaction ◽

Reaction Data ◽

Chemical Knowledge ◽

Carbon Hydrogen Bonds

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Deuterium Isotope Effects in Rates of Methylene Radical Insertion into Carbon-Hydrogen Bonds and Across Carbon Double Bonds

Journal of the American Chemical Society ◽

10.1021/ja00890a060 ◽

1963 ◽

Vol 85 (7) ◽

pp. 1023-1024 ◽

Cited By ~ 14

Author(s):

J. W. Simons ◽

B. S. Rabinovitch

Keyword(s):

Hydrogen Bonds ◽

Isotope Effects ◽

Double Bonds ◽

Deuterium Isotope Effects ◽

Carbon Hydrogen Bonds

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Catalytic functionalization of carbon-hydrogen bonds by isonitrile insertion. Preparation, characterization, and reactivity of RhCl(PR3)2(CNR')

Organometallics ◽

10.1021/om00117a030 ◽

1990 ◽

Vol 9 (3) ◽

pp. 718-727 ◽

Cited By ~ 41

Author(s):

William D. Jones ◽

Edward T. Hessell

Keyword(s):

Hydrogen Bonds ◽

Carbon Hydrogen Bonds ◽

Catalytic Functionalization

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Formal transfers of hydride from carbon-hydrogen bonds. Attempted generation of molecular hydrogen by intramolecular reduction of protons bound by 2,3-dihydro-1,3-dimethyl-2-(2-pyridinyl)-1H-benzimidazole

The Journal of Organic Chemistry ◽

10.1021/jo00233a025 ◽

1987 ◽

Vol 52 (24) ◽

pp. 5437-5442 ◽

Cited By ~ 15

Author(s):

Socorro M. Ramos ◽

Micheline Tarazi ◽

James D. Wuest

Keyword(s):

Hydrogen Bonds ◽

Molecular Hydrogen ◽

Carbon Hydrogen Bonds

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Influence of hydrogen bonds and double bonds on the alkane and alkene derivatives self-assembled monolayers on HOPG surface: STM observation and computer simulation

Applied Surface Science ◽

10.1016/j.apsusc.2010.02.065 ◽

2010 ◽

Vol 256 (14) ◽

pp. 4647-4655 ◽

Cited By ~ 26

Author(s):

Xinrui Miao ◽

Chumin Chen ◽

Jian Zhou ◽

Wenli Deng

Keyword(s):

Computer Simulation ◽

Hydrogen Bonds ◽

Self Assembled Monolayers ◽

Double Bonds ◽

Assembled Monolayers ◽

Self Assembled

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Homolytic bond dissociation energies of acidic carbon-hydrogen bonds activated by one or two electron acceptors

The Journal of Organic Chemistry ◽

10.1021/jo00014a022 ◽

1991 ◽

Vol 56 (14) ◽

pp. 4448-4450 ◽

Cited By ~ 30

Author(s):

F. G. Bordwell ◽

John A. Harrelson ◽

Xianman Zhang

Keyword(s):

Hydrogen Bonds ◽

Electron Acceptors ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Carbon Hydrogen Bonds

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ChemInform Abstract: 1,1-DIHALOCYCLOPROPANES DERIVED FROM TERPENES. THE STEREOCHEMISTRY OF CYCLOPROPYLIDENE INSERTION INTO CARBON-HYDROGEN BONDS ADJACENT TO ALCOHOLS

Chemischer Informationsdienst ◽

10.1002/chin.198442085 ◽

1984 ◽

Vol 15 (42) ◽

Author(s):

M. S. BAIRD ◽

S. R. BUXTON ◽

P. SADLER

Keyword(s):

Hydrogen Bonds ◽

Carbon Hydrogen Bonds

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Systhesis, Characterization and Spectroscopic Properties of (2E,6E)-2,6-Bis(2,3,4-tri-methoxy-benzylidene)cyclohexanone

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.396-398.2338 ◽

2011 ◽

Vol 396-398 ◽

pp. 2338-2341

Author(s):

Xing Chuan Wei ◽

Zhi Li Liu ◽

Kun Zhang ◽

Zhi Yun Du ◽

Xi Zheng

Keyword(s):

Crystal Structure ◽

Acetic Acid ◽

Hydrogen Bonds ◽

Title Compound ◽

Spectroscopic Properties ◽

Spectral Studies ◽

Double Bonds ◽

X Ray ◽

Π Interactions ◽

X Ray Crystallography

In this paper, (2E,6E)-2,6-Bis(2,3,4-tri-methoxy -benzylidene)cyclohexanone (omitted as tmbcho) (1) was obtained by the reaction of acetic acid, tetrahydrofuran, cyclohexanone and 2,3,4-tri-methoxy-benzaldehyde. Three non-classic hydrogen bonds were observed in the compound. X-ray crystallography shows that the crystal structure is stabilized by intermolecular C-H•••π interactions and it contains plenty of conjugated double bonds. The title compound was characterized by UV-vis and fluorescent spectral studies.

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