From looking at the cumulative results of all analyses performed on the reaction trajectories we deduced which movements took place during the reaction. From the PCA, LDA and the correlation analysis (clustermap) we saw a tilt in the calixarene cage. Likewise, we observed changes in the coordination around the Cu centre, as indicated for example by Phena-Cu-Br angle changes and a C-N bond shortening upon product formation. Finally, the tICA results suggest a settling of the product in the calixarene cage, governed by - stacking interactions. These correlations can be then temporally defined by interpreting the Granger causality analysis. Through the causality analysis of changes in the C-N bond, we deduce that the reaction is Granger-caused by a movement in the reaction centre (such as a change in the Phena-Cu-Br angle) or a change in the calixarene cavity conformation, whereas in turn changes in the Phena-Cu-Br angle are Granger-caused by changes in the calixarene conformation. Finally, the - stacking increased once the formed product reoriented itself inside the cavity. Therefore, we may create a sequential image of the reaction, schematically depicted in Figure as follows: i) the calixarene cage tilts perpendicularly to the phenanthroline; ii) The change in Cu-coordination takes place before the C-N distance shortening, but after the tilt of the cage; iii) the C-N bond distance shortens; iv) π-π stacking effects drive the movement of the product inside the cage and below the phenanthroline. It appears that in the majority of the sampled data, the C-N coupling distance is largely influenced by a movement in the upper cage of the calixarene, namely units 2,3 and 4, which can be seen as the trigger for the reaction.