To test the meta-MD based reaction discovery method described above we set out to rediscover tertiary amines and phosphines as catalysts for the MBH reaction. The MBH reaction is represented by the reaction of methyl acrylate (MA) with p-nitrobenzaldehyde (pNBA) following Seumer et al. The task is then to find a catalyst template that can catalyze the reaction between MA and pNBA. To demonstrate this, we initially provide a list of eight possible catalyst templates (Round 1), for which reaction networks with the reactants (MA and pNBA) are grown following step 1-4 in Section 2. Based on an analysis of the most promising reaction networks grown in Round 1, three new possible catalyst templates are tested (Round 2).