Computational study on the reaction pathway of α-bromoacetophenones with hydroxide ion: Possible path bifurcation in the addition/substitution mechanism

Journal of Organic Chemistry

Volumn 76, Issue 20, 2011, Pages 8294-8299

  Itoh, Shuhei ^a   Yoshimura, Nobuyoshi ^a   Sato, Makoto ^a   Yamataka, Hiroshi ^a  

^a RIKKYO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYL ADDITION; CARBONYL CARBON; COMPUTATIONAL STUDIES; DFT CALCULATION; ELECTRON-DONATING; ELECTRONWITHDRAWING; HYDROXIDE IONS; INTRINSIC REACTION COORDINATE; PROTON ABSTRACTION; REACTION CHANNELS; REACTION PATHWAYS; TRAJECTORY CALCULATIONS;

BIFURCATION (MATHEMATICS); CARBONYLATION; QUANTUM CHEMISTRY; REACTION KINETICS;

ADDITION REACTIONS;

HYDROXIDE; NUCLEOPHILE; ORGANOBROMINE DERIVATIVE; PHENACYL BROMIDE; UNCLASSIFIED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG MECHANISM; DRUG STRUCTURE; ELECTRON TRANSPORT; ENERGY TRANSFER; ENERGY YIELD;

EID: 80054116127     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo201485y     Document Type: Article

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