Finally, the performance of M19 as a catalyst for the MBH reaction was tested experimentally and it is shown that it outperforms DABCO with significantly faster reaction times and a reaction rate constant that is 7.8 times larger. The observed difference in rate constants is consistent with the calculated difference in activation energy between DABCO and M19 which highlights the accuracy of the here chosen computational approach. We believe this is the first experimentally verified de novo discovery of an efficient catalyst using a generative model.