Chronology of CH···O Hydrogen Bonding from Molecular Dynamics Studies of the Phosphoric Acid-Catalyzed Allylboration of Benzaldehyde

CH···O hydrogen bonds involving formyl groups have been invoked as a crucial factor controlling many asymmetric transformations. We conducted quasi-classical direct molecular dynamics simulations on the phosphoric acid-catalyzed allylboration of benzaldehyde to understand the synergy between the pho...

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Veröffentlicht in:	Journal of the American Chemical Society 2017-06, Vol.139 (23), p.7717-7720
Hauptverfasser:	Grayson, Matthew N, Yang, Zhongyue, Houk, K. N
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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