Aaron TS Template Library

Allylation/NN-dioxide

TS structures for the allylation of benzaldehyde catalyzed by 2,2'-bipyriding-N,N'-dioxide

see B. J. Rooks, M. R. Haas, D. Sepulveda, T. Lu, and S. E. Wheeler, "Prospects for the Computational Design of Bipyridine N,N′-Dioxide Catalysts for Asymmetric Propargylations", ACS Catal. 5, 272 (2015) and references cited therein.

Note: Assumes ligand is C2-symmetric!


Click Below to Select a Structure to View

R/ts1.xyz


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