Figure 3
From: New developments on the cheminformatics open workflow environment CDK-Taverna
Capabilities of the advanced reaction enumerator: The sketched generic reaction contains three different generic groups labelled X, Y and Z. Group × defines a Variable RGroup which can freely attach to all atoms of the ring. The Atom Alias group labelled Y is a wild card for the elements carbon, oxygen and nitrogen. The Expandable Atom group Z defines a variable ring size: The ring can be expanded by up to two additional carbon atoms. The enumerated products with the small letters a and b originate from multi-match detection.