Mechanistic Understanding of KOtBu‐Mediated Direct Amidation of Esters with Anilines: An Experimental Study and Computational Approach

Abstract A sustainable and cost‐effective protocol has been reported for the synthesis of amide bonds from unactivated esters and non‐nucleophilic amines promoted by potassium tert ‐butoxide under aerobic conditions. The reaction proceeds under relatively mild conditions, encompassing wide substrate scope. A combined experimental and quantum chemical study has been performed to shed light on the mechanism, which implied that a radical pathway is operating for the present protocol.