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Theoretical Explorations of Enantioselective Alkylation Reactions of Pyrroles and Indoles Organocatalyzed by Chiral Imidazolidinones

✍ Scribed by Ruth Gordillo; Jennifer Carter; K. N. Houk

Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 482 KB
Volume: 346
Category: Article
ISSN: 1615-4150
DOI: 10.1002/adsc.200404107

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✦ Synopsis

Abstract

The transition structures for MacMillan's alkylations of N‐methylpyrrole by aldehydes catalyzed by chiral amine salts were explored with B3LYP/6‐31G(d) density functional theory. These results provide an explanation of the enantioselectivities observed with these two catalysts.

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