Designed nucleophilic attack based on molecular electrostatic potential

György M. Keserü, M. Kajtár-Peredy, G. Náray-Szabó

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

We describe the computer-aided design of the steric preference in a nucleophilic attack on sterically unbiased carbonyl groups. To our knowledge, this is the first example for the successful application of the molecular electrostatic potential map to computer-assisted synthesis.

Original languageEnglish
Pages (from-to)9255-9258
Number of pages4
JournalTetrahedron Letters
Volume35
Issue number49
DOIs
Publication statusPublished - Dec 5 1994

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Computer-Aided Design
Static Electricity
Electrostatics
Computer aided design

ASJC Scopus subject areas

  • Biochemistry
  • Organic Chemistry
  • Drug Discovery

Cite this

Designed nucleophilic attack based on molecular electrostatic potential. / Keserü, György M.; Kajtár-Peredy, M.; Náray-Szabó, G.

In: Tetrahedron Letters, Vol. 35, No. 49, 05.12.1994, p. 9255-9258.

Research output: Contribution to journalArticle

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