AM1 CALCULATIONS FOR REGIOSELECTIVITIES AND REACTIVITIES OBSERVED IN CYANATION OF 3-SUBSTITUTED PYRAZINE 1-OXIDES WITH TRIMETHYLSILYL CYANIDE

被引:4
|
作者
SAKAKIBARA, T
OHWAKI, Y
SATO, N
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D O I
10.1246/bcsj.66.1149
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Regioselectivities and reactivities previously reported in the reactions of 3-amino-, 3-cyano-, 3-mehoxy-, and 3-methoxycarbonylpyrazine 1-oxide with trimethylsilyl cyanide were corroborated on the basis of semiempirical molecular orbital calculations (AM method) involving an approach of a cyanide ion to the reactive sites.
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页码:1149 / 1155
页数:7
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