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- Title
Quantum-chemical study of the regioselectivity in S <sub>N</sub>H reactions of some 3-nitro-1,5-naphthyridines with chloromethyl phenyl sulfone.
- Authors
Grzegozek, M.; Szpakiewicz, B.
- Abstract
Quantum-chemical calculations of geometries and the heats of formation of the intermediate σ-adducts in the reaction of 3-nitro-1,5-naphthyridine and its 2-substituted derivatives with the carbanion of the chloromethyl phenyl sulfone have been investigated by the PM3 method. The calculations confirm the experimentally observed regioselectivity of the studied reactions.
- Subjects
ORGANONITROGEN compounds; QUANTUM chemistry; SUBSTITUTION reactions; CARBANIONS; ORGANOCHLORINE compounds
- Publication
Chemistry of Heterocyclic Compounds, 2005, Vol 41, Issue 12, p1521
- ISSN
0009-3122
- Publication type
Article
- DOI
10.1007/s10593-006-0030-5