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Parameterization of Acyclic Diaminocarbene Ligands Applied to a Gold(I)-Catalyzed Enantioselective Tandem Rearrangement/Cyclization
Computed descriptors
for acyclic diaminocarbene ligands are developed
in the context of a gold catalyzed enantioselective tandem [3,3]-sigmatropic
rearrangement-[2+2]-cyclization. Surrogate structures enable the rapid
identification of parameters that reveal mechanistic characteristics.
The observed selectivity trends are validated in a robust multivariate
analysis facilitating the development of a highly enantioselective
process