The next molecule is a kinase inhibitor , which is synthesised as seen in Figure . The inhibitor is produced via an amide-bond formation. Again, the stabilisation is obtained through the carbonyl and amine. The EGAT on the other hand proposes a different reaction centre, that pertains to a second amide bond in the molecule (subplot e). The node importance in subplot c is seen to identify the relevant stabilising carbonyl group for this reaction centre. The proposed reaction is shown in Figure . While this is a feasible reaction, it is less efficient than the ground-truth reaction. This is because the lone pair on the aniline amine is conjugated into the aromatic system. Thus, the lone pair is less available for donation. Not only does this affect the reaction rate and yield, but also the selectivity. This is because a more nucleophilic nitrogen exists in the same molecule as an alkyl amine (highlighted in red, Figure ) which would compete in the reaction (and most likely be the major product) . As done before, the GNNExplainer is queried for the node importance for the correct reaction centre (ESI Section S4.3). It is observed that the EGAT model puts the highest importance on the carbonyl, similar to the D-MPNN.