Our study presents a proof-of-concept approach to the discovery of complex reaction coordinates that is transferable to any chemical reaction. The presented methodology is not only applicable to the study of single reaction steps, but can be extended to reactions with competing reaction pathways that determine selectivity: If the reaction energy profile is different, then the energy can be used as a simple criterion to group the trajectories and separate the pathways. In case, the energy differences are similar and only the product structures are different, this will be highlighted by PCA or tICA, allowing separation using a clustering approach. This information can then be leveraged to either separate the sampling data and categorize the reaction trajectories or to perform new, biased or restrained simulations which direct the reaction mechanism through a single pathway.