Figure 5. Energy profiles.
Isoquinoline (a, up, i subscript in roman numerals) and pyrimidine (b, down, p subscript in roman numerals) formation for the oxazolidinone (blue) and methylthio (red) derivatives. The corresponding three-dimensional structure sequence is exemplified for the methylthio derivative, for both a and b pathways, in Supplementary Figs 66 and 67, respectively