We compute a reaction network for each of several possible catalyst candidates. Our method for building reaction networks relies on extracting possible single-step reactions from a number of meta-MD runs. Below we give a short summary of the method but details can be found in 12, 11 and 23. Unlike more systematic approaches such as graph enumeration of products or reaction coordinates, where the search for intermediates is done in a (semi-) exhaustive manner, our goal is not to exhaustively find all possible intermediates. Rather, the goal is to find all low barrier reactions (<30 kcal/mol). While using a method based on molecular dynamics simulations makes the search for one intermediate more expensive than e.g. graph enumeration of products, we typically generate several orders of magnitude fewer intermediates to be analyzed . Therefore, we can afford a much more accurate screening procedure of the found intermediates. Furthermore, locating the intermediates without finding the barrier simultaneously (as some other methods do, see e.g. 16 and 26) allows us to efficiently perform an initial screen based on the energy of the intermediates. . From this tautomer one can make a proton transfer between equivalent groups (black arrow) resulting in the bottom reaction.