Aaron TS Template Library


TS structures for the propargylation of benzaldehyde catalyzed by (S)-5,5'-di(t-Bu)-2,2'-bipyridine-N,N'-dioxide (Cat 3a 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!

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