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. Author manuscript; available in PMC: 2018 Feb 12.
Published in final edited form as: J Chem Phys. 2016 Apr 14;144(14):144308. doi: 10.1063/1.4945745

Figure 4.

Figure 4

Energy diagram showing the energies (in kcal mol−1) and structures of the reactants for the methylation of 4(3H)-pyrimidone 2, corresponding to the second step of the formation mechanism illustrated in Route 3 (Fig. 1).