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. 2021 Jul 14;7(7):1216–1224. doi: 10.1021/acscentsci.1c00460

Figure 1.

Figure 1

Substituent effects on the reactivity of 2-furylcarbinol derivatives. (a) Structures of model furfuryl carbonates (X = O) and furfuryl carbamates (X = NH) with varying substitution patterns, and (b) corresponding activation energies for fragmentation of the α-C–O bond calculated at the M06-2X/6-311+G** level of density functional theory.