Computational insights into the mechanisms of Au(<scp>i</scp>)-catalysed intramolecular addition of the hydroxylamine group onto alkynes

Abstract

Computational studies were carried out to understand the reaction mechanisms and the origin of the substrate-dependent chemo- and regio-selectivities of the Au(<sc>i</sc>)-catalysed intramolecular addition of the hydroxylamine group onto alkynes.