AM1 Transition State Modeling for the Enantioselectivities in the Chiral Oxazaborolidine‐Catalyzed Reductions of α‐ and β‐Aminoketones
2005
AM1 transition state (TS) models were developed for the enantioselectivities in the reductions of α- and β-aminoketones catalyzed by (S)-4-benzyl-5,5-diphenyl-1,3,2-oxazaborolidine. The result showed that β-aminoketone gave better enantioselectivity than its α-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.
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