I want to do a virtual Suzuki coupling with the RDkit Two component node.
As far as I understood the description, the Amine/acidchlorid example and the RDKit book, the reaction is created by the SMARTS defining the leaving groups with defined coupling atoms for the two reactants and SMARTS on how the reactant coupling atoms are to be connected.
I want to use an aromatic halide "Cl[#6:1]" and boronic acids "B(O)(O)([#6:2]".
Both SMARTS work fine in the RDKit Substructure node.
The reaction was constructed as [B(O)(O)([#6:1]).Cl[#6:2]]>>[#6:1]-[#6:2]
and the error I get from this is:
RDKit Two Component Reaction Configure failed (ChemicalReactionParserException): null
What am I doing wrong ?
Many thanks for your help