An example of predicted reactions is shown in Figure , and the atoms of main reactant and product of the reactions are mapped and shown in Figure , by a chemically agnostic attention-guided reaction mapper, namely, RXNMapper. The analogue reaction is the glycosylation of 4-hydroxymandelonitrile, catalysed by hydroxymandelonitrile glucosyltransferase, to produce taxiphyllin, where the glycosyl group in taxiphyllin is transferred from cofactor UDP-glucose. The reaction centre of the analogue reaction is an oxygen atom, marked as "O:4" at the analogue reaction atom mapping. Similarly, the predicted reaction is the glycosylation of mandelonitrile to produce prunasin. The reaction centre and glycosyl group transformation remains identical as the analogue reaction, except both the predicted reactant and product are lack of a hydroxyl group, marked as 'O:20H' at atom mapping, attached to the benzene ring. Although it is suspected the electron donation of the conjugated hydroxyl group "O:20H" might slightly affect the adjacent atom environment near the reaction centre, the original publication 59 of the analogue reaction suggests that in this transformation, most functional groups could possibly substitute the phenyl group attached to the carbon atom "C:3", for example, a 3,4-dihydroxylphenyl group (i.e. the addition of a hydroxyl group on the carbon atom "C:18"). This enhances the feasibility of the predicted reaction. (c) Predicted reaction SMILES tokens