Is it possible to remove hydrogens using ReactionFromSmarts, for example
changing Cc1ccccc1 to [CH2]c1ccccc1?
I can do it using ReplaceSubstructs but I am trying to write more general code
that also does other transformations that are better done with
ReactionFromSmarts. I can also create [CH2+]c1ccccc1? and then remove the +
from the SMILES string but that is a hack
Here's sample code that, unfortunately, produces Cc1ccccc1
from rdkit import Chem
from rdkit.Chem import AllChem
m = Chem.MolFromSmiles("Cc1ccccc1")
rxn_smarts = '[CX4;H3:1]>>[CX4;H2:1]'
rxn = AllChem.ReactionFromSmarts(rxn_smarts)
newmol = rxn.RunReactants((m,))
print Chem.MolToSmiles(newmol[0][0],canonical=False)
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