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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 15, Number 10
BKCSDE 15(10)
October 20, 1994 

Theoretical Study on the [3,3]-Sigmatropic Rearrangement of Allylic Esters by Comparative Molecular Field Analysis (CoMFA)
Sung-Eun Yoo*, Ok Ja Cha
A comparative molecular field analysis (CoMFA) on the substituent effect of the palladium(Ⅱ) catalyzed [3,3]-sigmatropic rearrangement of allylic esters was studied to show a good correlation between the electrostatic property of substituents and the reaction rate. The CoMFA result suggests that the reaction rate will increase as the electron-donating ability of substituents increases.
889 - 890
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