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. Author manuscript; available in PMC: 2017 Oct 4.
Published in final edited form as: Angew Chem Int Ed Engl. 2016 Jun 22;55(41):12596–12624. doi: 10.1002/anie.201600547

Scheme 26.

Scheme 26

(A) Ru-catalyzed hydrogenation of acetophenone. (B) Lowest energy computed transition structure (ωB97X-D/SDD(Ru)/6-31G*(C,H,N,O,P,K)/SMD(propan-2-ol)) for rate- and selectivity-determining C–H bond formation catalyzed by amidato complex 105b. The proposed cation–π interaction is depicted by green dotted lines. Adapted with permission from ref. 91. Copyright 2014 American Chemical Society. (C) Revised catalytic cycle.