Fig. 10

Parent scaffold of 1,2,3,4,6,7-hexahydroisoquinoline depending on the set value of the retain only hybridisations at aromatic bonds setting. When the cyclohexadiene ring is removed from 1,2,3,4,6,7-hexahydroisoquinoline (PubChem CID 89002720) in parent scaffold generation, the formerly shared bond with the piperidine ring is turned into a double bond if the retain only hybridisations at aromatic bonds setting is set to false. In this case, double bonds are always inserted if possible to preserve atom hybridisations in the remaining ring. If the setting is set to true, this is only done when an aromatic ring is removed. In this case, no double bond is inserted in the remaining piperidine ring