Pd/LA-catalyzed decarboxylation enabled exclusive [5 + 2] annulation toward <i>N</i>-aryl azepanes and DFT insights

Abstract

A practical approach towards the synthesis of non-fused <italic>N</italic>-aryl azepane derivatives with diversity is described. DFT calculations revealed the origins of this unusual exclusive [5 + 2] rather than empirical [3 + 2] annulation process.