To get a reaction graph you need to superimpose the initial and final structures. Resulting single diagram shows how the bonds of initial structure should be redistributed in order to form the final structure.

The edges in the reaction graph can be labelled by numbers (e.g. displaying the changes in bonds' orders) or by color (e.g. dashed and bold). In our example the labelled hexagon (that consists of important structural information about the reaction) can be stored in the computer database. Reaction graphs are helpful to classify reactions and even to discover new ones, considering another set of initial (or final) structures.