Aaron TS Template Library
TS structures for the propargylation of benzaldehyde catalyzed by 2,2'-bipyridine-N,N'-dioxide (Cat 1a from Ref below)
See A. C. Doney, B. J. Rooks, T. Lu, and S. E. Wheeler, "Design of Organocatalysts for Asymmetric Propargylations through Computational Screening ", ACS Catal. 6, 7948 (2016).
Note: Assumes ligand is C2-symmetric!
©2017 Steven E. Wheeler. All rights reserved.
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