019: Хімічні науки і технології
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Browsing 019: Хімічні науки і технології by Subject "квантово-хімічна програма PM3"
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Item The mechanism of dehydration of 4-hydroxymethyl-12-hydroxytetracyclo[7.3.12 , 7.06 , 1 1]tridecane(2001) Ісаєв, Сергій; Янку, ЙозефUsing the semiempirical program PM3 revision of the before proposed scheme of the convertions 4-hydroxymethyl-12-hydroxytetracyclo[7.3.12,7.06,11]tridecane in a hot phosphoric acid was realized. According to new proposed scheme, where disadvantageous stages of Wagner-Meerrwein rearrangements are absent, a final product should be 4-methyl-5-oxotetracyclo [7.3.12,7.06,11]tridecane. We suggested explanation of absence of methyloxadiamantane in reaction products.