Table 1: Activation free energies of the reaction process.

ReactantMechanism (kcal/mol)

FormamideTS151.28
TS235.91
Reference [23]31.00

FormamidineTS122.66
TS219.16
References [24, 25]15.69

Methyl formateTS328.17
References [26, 27]25.90

IsocyanateTS213.90
Reference [28]14.00