Abstract
Examples of the application of Molecular Mechanics (MM2) calculation in natural product syntheses using macrocyclic stereocontrolled reactions are presented. MM2 calculations and abinitio MM2 calculations have been used in predictions (or analyses) of the stereoselectivity in macrocyclic reactions such as the transannular Diels-Alder reaction of the 14-membered (E, E, E)-triene, the transannular [2, 3]-Wittig reaction of the 13-membered diallylic ethers, the cyclopropanation and the epoxidation of the 10-membered enones. Moreover molecular designing for the Bergman cyclization of the macrocyclic diynenes based on MM2 calculations are also described.
