Initial geometries of the stationary points along the reaction profiles have been determined with the help of either autodE or TS-tools. The reaction SMILES used can be found in Section S1.1 of the Supporting Information. For each of the identified stationary states, conformer searches were performed as a post-processing step at GFN2-xTB level-of-theory with the help of CREST. During conformational searches of the transition states, geometric constraints were applied to the active bonds, i.e., the bonds undergoing a change in bonding situation throughout the reaction, to preserve the TS vibrational mode. The 100 conformers with the lowest xTB energy were re-optimized with DFT, and the resulting energies were used to perform a final conformer ranking; the lowest energy conformer was subsequently selected for further refinement.