Mechanistic insights into the origin of substituent-directed product Z–E selectivity for gold-catalyzed [4+1]-annulations of 1,4-diyn-3-ols with isoxazoles: A DFT study

Kaifeng Wang,Yuxia Liu,Qiao Wu,Lingjun Liu,Yulin Li,Tony D. James,Guang Chen,Siwei Bi

Molecular Catalysis（2020）

引用 11|浏览21

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摘要

The mechanisms and origins of substituent-induced Z−E chemoselectivity for gold(I)-catalyzed [4+1]-annulations of 1,4-diyn-3-ols with isoxazoles are explored theoretically.

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关键词

Au(I)-catalysis,[4+1] annulation,1,4-diyn-3-ols,Selectivity,DFT

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