Aaron TS Template Library
This is an abridged set of TS structures for the allylation of benzaldehyde catalyzed by 2,2'-bipyriding-N,N'-dioxide for example purposes only!
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!
©2017 Steven E. Wheeler. All rights reserved.
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