Cu(i)-catalysed asymmetric intramolecular tandem oxaziridination/rearrangement reaction: theoretical insight into the mechanism, enantioselectivity, ligand effect, and comparison with the corresponding Lewis-acid-promoted reaction

DFT calculations were performed to explore the mechanisms, origins of enantioselectivity, and ligand-controlled reactivity of the Cu( i )-catalysed asymmetric intramolecular tandem oxaziridination/rearrangement reaction.