The dynamic properties of the DA reaction in an explicit solvent were investigated by propagating downhill and uphill trajectories. Downhill trajectories were propagated from the TS, while uphill trajectories were initiated from RS. Initial configurations for the downhill trajectories were obtained using a method inspired by the solvent-perturbed transition state (SPTS) sampling scheme proposed by Houk et al. TS frames for reactions in explicit solvents were initially selected from ACE MLP-MD/US. These frames were equilibrated for 20 ps in the NVT ensemble while fixing the solute geometry. Snapshots were collected every 5 ps from resulting 20 ps trajectories. In these snapshots, TSs were optimised using the Broyden-Fletcher-Goldfarb-Shanno (BFGS) method, implemented in ASE, with fixed solvent molecules and harmonic potentials to maintain the TS distance of the forming bonds, obtaining optimised TSs reflecting solvent environments. Downhill dynamics were propagated from optimised TSs until the products or reactants were formed within a maximum simulation time of 2 ps. Product formation was considered when both r 1 and r 2 distances were below 1.6 Å, whereas the reactant were considered formed if the forming bond distances exceeded 3.0 Å.