I’ve set up a little workflow to generate new structures by connecting two aromatic rings.
I use Marvin Sketch (output to RxnCell) where I react
Aryl(1)-[Br] + Aryl(2)-[At] => Aryl(1)-Aryl(2)
and I feed the respective SMILES strings from two input tables. [Br] and [At] are used as placeholder atoms. Within MarvinSketch I map the “Aryl” entities, and the node works just fine.
Now, I want to couple non-aromatic systems, too, i.e. olefins, maybe also alkyl chains. So, my first try was to use ‘A’ (any atom except H) instead of “Aryl” but it generates an empty table even for the aforementioned aryl-aryl coupling. Same goes for the labels C, anygroup and anyatom.
I feel like I fundamentally misunderstood the usage of the node but couldn’t find anything in the forum that I could use to solve my problem.
I’d appreciate any pointers.