Aaron TS Template Library


TS structures for the propargylation of benzaldehyde catalyzed by (S)-[1,1'-biisoquinoline]-2,2'-dioxide (Cat 6a 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!

Click Below to Select a Structure to View


Show atom labels
Show hydrogens 
Any constrained bonds are highlighted in blue
Key atoms are highlighted in red