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Hantzsch Ester Hydrogenation
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Theoretical Study of the Mechanism of Hantzsch Ester Hydrogenation of Imines Catalyzed by Chiral BINOL-Phosphoric Acids
L. Simón and J. M. Goodman J. Am. Chem. Soc. 2008, 130, 8741-8747.
DOI: 10.1021/ja800793t
This paper uses ONIOM calculations (B3LYP/6-31G* and the UFF force field) to study a chiral reduction. We suggest a view of the transition state which can be used to interpret the stereocontrol from the BINOL-phosphoric acid catalysts:
This is similar to that proposed for other BINOL-catalysed processes: jo8007463
This work is developed in a study of Strecker reactions: ja808715j
#sketchBINOL
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