That's an interesting question...
How about using a charged dummy atom?
In [6]: rxn = AllChem.ReactionFromSmarts('[Fe+2:1]>>[Fe+3:1].[*-1]')
In [7]: ps = rxn.RunReactants((Chem.MolFromSmiles('[Fe+2]'),))
[04:53:52] product 1 has no mapped atoms.
In [8]: Chem.MolToSmiles(ps[0][0])
Out[8]: '[Fe+3
RDkit Discussion Group,
I am trying to get RDkit to recognize reactants and products in RedOx
reactions including
reactions which include explicit electrons using SMILES as patterns. Does
anyone have any
suggestions or ideas for how to deal with an explicit electron?
I have tried:
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