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. 2021 Dec 14;143(51):21594–21603. doi: 10.1021/jacs.1c09573

Figure 4.

Figure 4

DFT-calculated free energy profile for the hydrogenation of class 1 enamides: (right) E isomer; (left) Z isomer; (bottom) reversible isomerization pathway. iThe free energy of the pathway toward the S configuration is shown in parentheses. iiThe free energy of the pathway toward the R configuration is shown in parentheses.