reaction mechanism) has a relatively high ∆G † of 73.4 kcal/mol, which is unlikely to occur at low temperatures (e.g. below 500 • C). However, the exploration revealed three other catalyzed mechanisms that reduced the barrier by up to half. An intramolecularly catalyzed pathway was discovered utilizing the hydroxyl group at the 5-position (Fig. ) with a ∆G † of 46.1 kcal/mol.