Origin of Asymmetric Induction in Bicyclic Guanidine-Catalyzed Thio-Michael Reaction: A Bifunctional Mode of Lewis Acid-Brønsted Acid Activation
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https://figshare.com/articles/dataset/Origin_of_Asymmetric_Induction_in_Bicyclic_Guanidine_Catalyzed_Thio_Michael_Reaction_A_Bifunctional_Mode_of_Lewis_Acid_Br_nsted_Acid_Activation/2499502
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资源简介：
In addition to a bifunctional Brønsted acid activation
mode,
an unconventional bifunctional mode of Lewis and Brønsted acid
activations was revealed in a DFT study of bicyclic guanidine-catalyzed
thio-Michael reaction. This activation mode provides an alternate
reaction pathway for the C–S bond forming step and influences
the final stereochemical outcome. The calculated turnover frequencies
of the R- and S-products, based
on the energetic span model, are in good accord with the observed
high stereoselectivity toward the S-product.
创建时间：
2016-02-20
