摘要

AM1 transition state (TS) models were developed for the enantioselectivities in the reductions of alpha- and,beta-aminoketones catalyzed by (S)-4-benzyl-5,5-diphenyl-1,3,2-oxazaborolidine. The result showed that beta-aminoketone gave better enantioselectivity than its alpha-analog. Different chiralities of the final products were obtained, R for the former and S for the latter. These semiempirical TS models are consistent with the experimental data.