R 30 Reactions of azinium cations. 8. Electron structures of 3-substituted 1,2,4-triazines and protonation, quaternization, and reactions with nucleophiles [Electronic resource] / S. G. Alekseev, P. A. Torgashev, M. A. Fedotov, A. I. Rezvukhin, S. V. Shorshnev, A. V. Belik, V. N. Charushin, O. N. Chupakhin // Chemistry of Heterocyclic Compounds. - 1988. - Vol. 24, № 4. - С. 434-441. - Bibliogr. : p. 440-441 (34 ref.) Рубрики: ХИМИЧЕСКИЕ НАУКИ Кл.слова (ненормированные): 1,2,4-TRIAZINES -- NUCLEOPHILES Аннотация: The electron structures of 3-substituted 1,2,4-triazines and isomeric N-methyltriazinium salts were calculated by the CNDO/2 method. The results of the calculations were compared with the parameters of the 13C, 15N, and 14N NMR spectra, as well as with experimental data on the protonation, N-alkylation, and reactions of 1,2,4-triazines with simple nucleophiles. The protonation centers of 1,2,4-triazines were determined by means of 1H, 13C, and 14N NMR spectroscopy. The covalent adducts formed by the proton salts of 3-methoxy-, 3-methylthio-, 3-morpholino-, and 3-pyrrolidino-1,2,4-triazine with water and methanol were recorded by 1H NMR spectroscopy. \\\\expert2\\nbo\\Chemistry of Heterocyclic Compounds\\1988, v.24, N 4, p. 434.pdf |