A novel stereochemistry retention mechanism in the S<sub>N</sub>2 reaction.

Song, Zhexuan; Gao, Hong; Xie, Jing · Nat Commun · 2026

basic_science · Level V

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Abstract

A recent study by Lu et al. reports the nucleophilic substitution reaction between Cl<sup>‒</sup> and (CH<sub>3</sub>)<sub>3</sub>CI can proceed via a flip-over mechanism — a new type of S<sub>N</sub>2 pathway that retains configuration, discovered through simulations on a full-dimensional potential energy surface.