Templates were extracted using an adaptation of Coley et al.'s implementation for rule extraction, which only contain the immediate neighborhood of the reaction centers, thus do not capture the extended environment required to account for leaving and protecting groups. In addition, the algorithm failed to account for reactive species, without specification of which, the reactants would not be regenerated. This has since been corrected by Coley et al. in RDChiral and has been extended in this study to encompass ca. 75 functional and protecting groups commonly used in organic synthesis. These were determined by analysis of frequently used reactions in the underlying datasets.