Recrossing and Dynamic Matching Effects on Selectivity in a Diels–Alder Reaction

Abstract

Up and down the hill: The products from the hetero-Diels–Alder reaction of acrolein with methyl vinyl ketone arise from a single transition state (see scheme) and trajectory studies accurately predict the selectivity. In an extension of the dynamic matching idea of Carpenter, the product formed is determined by the direction of motion passing through the transition state. Recrossing occurs extensively and decreases formation of the minor product. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.