This DFT study elucidates the mechanism, regioselectivity, and stereoselectivity in NHC-catalyzed cyclization of specific substrates, highlighting its implications.
The mechanism, regioselectivity and enantioselectivity of the [12+2] cyclization reaction between 5H-benzo[a]-pyrrolizine-3-carbaldehydes and cyclic sulfonic imines catalyzed by triazolium-derived N-heterocyclic carbene (NHC) have been elucidated by density functional theory calculations....
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Kang et al. (2025) studied this question.
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