Abstract
The physicochemical properties and electronic and three-dimensional structures of the products of transformations of 1-methyl-1,4-dihydronicotinamide were calculated within the MINDO/3 approximation. The problems associated with their reactivities in reactions involving electron and hydrogen-atom transfer, as well as the problems of “hydride” transfer in chemical reactions, are discussed.
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Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1640–1644, December, 1987.
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Nesterenko, A.M., Buryak, N.I., Polumbrik, O.M. et al. Electronic structures and reactivities of derivatives of 1,4-dihydropyridines. 1. 1-Methyl-3-carbamidopyridinyl radical and 1-methyl-3-carbamidopyridinium cation. Chem Heterocycl Compd 23, 1320–1324 (1987). https://doi.org/10.1007/BF00472256
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DOI: https://doi.org/10.1007/BF00472256