Quantum-chemical study of the regioselectivity in SNH reactions of some 3-nitro-1,5-naphthyridines with chloromethyl phenyl sulfone
- 29 Downloads
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.
Keywords3-nitro-1,5-naphthyridines heats of formation of anionic (phenylsulfonyl)chloromethyl σ-adducts PM3 method
Unable to display preview. Download preview PDF.