Abstract
Models of the major end products and intermediate products, pre viously detected in a study of the mechanism of the interaction of trichloromethylarenes with pyridines, were calculated by a semiem pirical quantum chemical MNDO method. Models of some putative unstable intermediates of the key redox step of the process under consideration — the aromatization of 4-chloro- or 4-pyridino-substituted 1-(α,α-dichloroarylmethyl)-1,4-dihydropyridines with transfer of hydrogen from the 4-position of the dihydropyridine ring to the benzyl dichloromethylene group and the formation of N-(α-chloroarylmethyl)-4-cliloropyridiniuni chlorides of N-(α-chloroarylmethyl)-4-pyridinopyridinium dichlorides, were also calculated.
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N. D. Zelinksii Institute of Organic Chemistry, Russian Academy of Sciences, Moscow 117913. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 11, pp. 1551–1558, November, 1995. Original article submitted November 13, 1995
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Belen'kii, L.I., Chuvylkin, N.D. Quantum chemical investigation of the mechanism of the reaction of pyridines with trichloromethylarenes. Chem Heterocycl Compd 31, 1346–1352 (1995). https://doi.org/10.1007/BF01168630
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DOI: https://doi.org/10.1007/BF01168630