Based on the initial analysis of reaction networks for the eight potential catalyst candidates (Figure , red box) ammonia is the most promising being the only candidate that shows catalytic activity after three iterations of the reaction discovery procedure. For both ammonia and phosphine we see that the possibility of a proton transfer from the nitrogen/phosphor atom creates a vast amount of reaction channels (Figures and). A way of hindering those reactions would be to exchange the hydrogens in ammonia and phosphine with methyl groups forming trimethylamine (TMA) and trimethylphosphine (TMP), respectively. For completeness, we also try dimethyl sulfide (DMS) formed by changing the hydrogens in hydrogen sulfide to methyl groups. Thus, in the second round of testing possible catalyst templates, we include TMA (C9), DMS (C10) and TMP (C11) (Figure , Round 2).