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Theoretical analysis reveals determinants of chemo-and stereoselectivity in NHC-catalyzed cycloadditions of hydrazone and isatin, using density functional theory.
Due to the multiple active sites of hydrazine, the origin of chemo-and stereoselectivity for N-heterocyclic carbene (NHC)catalyzed cycloadditions of hydrazone remains unclear. This theoretical study employs density functional theory (DFT)...
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Shen et al. (2025) studied this question.
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