2023
DOI: 10.1039/d3qo00045a
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An umpolung mechanism of B(pin)-mediated Cu/B rearrangement and origin of regioselectivity for NHC-Cu-catalyzed allylation of imines

Abstract: The mechanism of NHC-Cu-catalyzed selective allylation of N-benzylideneaniline with three allyl bromides has been investigated by DFT calculations. The current calculations reveal an unprecedented mechanism of B(pin)-mediated Cu/B rearrangement. The...

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