Mechanism of stereoselective synthesis of push-pull (Z)-4-oxothiazolidine derivatives containing an exocyclic double bond. A MNDO-PM3 Study

Abstract

Calculations using the MNDO-PM3 method were performed to elucidate the mechanism of stereoselective base-catalyzed reaction affording exclusively (Z)-2-alkylidene-4-oxothiazolidine push-pull derivatives from the corresponding α-mercapto esters and activated β-oxonitriles in ethanol as a solvent.