Theoretical Evaluation of the Reaction Intermediate Complex for an Asymmetric Reaction Using a Chiral Lithium Amide by the Molecular Mechanics (MM3) Calculations

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 exte...

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Veröffentlicht in:Chemistry letters 2003-02, Vol.32 (2), p.150-151
Hauptverfasser: Yoshida, Takashi, Sakakibara, Kazuhisa, Asami, Masatoshi
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creator Yoshida, Takashi
Sakakibara, Kazuhisa
Asami, Masatoshi
description 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.
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title Theoretical Evaluation of the Reaction Intermediate Complex for an Asymmetric Reaction Using a Chiral Lithium Amide by the Molecular Mechanics (MM3) Calculations
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