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. 2023 Dec 29;146(1):1196–1203. doi: 10.1021/jacs.3c13080

Figure 4.

Figure 4

(a) Computation of conformations and ene transition states for the reaction of cyclopropene 3a and cyclopropene 6a. (b) Intrinsic reaction coordinate scan of the pathway via TSA reveals a delayed C–H transfer in the ene reaction, and a ‘one step–two-stage’ concerted pathway. (c) Electronic effects on transition state energies (TSA). E = CO2Me.