Fig. 7: Mechanistic investigation of NHC-catalyzed alcoholysis of oxazolone.
From: Stereoselective diversification of α-amino acids enabled by N-heterocyclic carbene catalysis
The relative Gibbs free energies are reported from the SMD(DCM)-B3LYP-D3(BJ)/def2tzvp//B3LYP-D3(BJ)/def2svp level of theory, and the values are given in kcal/mol.
