Fig. 6

ReactionCode partial and complete decoding: The ReactionCode can be decoded by taking all or some layers. The layer 0 corresponds to the decoding of the reaction center only. Layers 0 + 1 illustrates the decoding of the reaction center and all surrounding atoms in the remaining group having a depth equal to 1, while layers 0 + 1 + A incorporates all surrounding atoms (remaining and leaving groups) with a depth of 1. Layers 0 + 1 + 2 and 0 + 1 + 2 + A + B are considering all surrounding atoms present in the depth lower or equal to 2. Layers 0 + 1 + 2 + 3 + 4 + 5 is an example where the reaction is decoded in its entirety but without the leaving group. Finally, “All Layers” represents the decoding of the complete reaction