Fig. 7
From: Reaction rebalancing: a novel approach to curating reaction databases
Some examples of reactions solved by the MCS-based method showcasing different merge and expand rules. Database entries are shown in black, imputed compounds in red. A Append compounds without forming a bond. B Append and merge I on Ether break. C Append and merge O on Ether break. D Append and merge O on Amide break. E Create new double bond with P. The double bond between \({\hbox {O}}^1\) and P in the reactant is changed to a single bond in the product and the oxygen \({\hbox {O}}^{2}\) from the oxan-4-one creates a double bond with P