Chemistry Letters, Vol.32, No.2, 150-151, 2003
Theoretical evaluation of the reaction intermediate complex for an asymmetric reaction using a chiral lithium amide by the molecular mechanics (MM3) calculations
The structures and conformational energies of the reaction intermediate complex for an asymmetric reaction, in which cyclohexene oxide is transformed to chiral (S)-2-cyclohexen-1-ol with high enantioselectivity by various chiral lithium amide in tetrahydrofuran (THF), were evaluated well by the extended Allinger's MM3 force field calculations.