Mechanism and origins of the directing group-controlled endo- versus exo-selectivity of iridium-catalysed intramolecular hydroalkenylation of 1,1-disubstituted alkenes
2018
Lang, Yanmin | Zhang, Mei | Cao, Yang | Huang, Genping
Density functional theory calculations were performed to investigate the iridium-catalysed intramolecular hydroalkenylation of 1,1-disubstituted alkenes. The detailed reaction mechanism is established, and the important role of directing groups in determining the experimentally observed endo- versus exo-selectivity is well rationalized by our calculations.
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