[Rdkit-discuss] reactions with benzene rings

[Fernando S. <sch...@gm...>]

Hello guys!

I'm trying to understand the applications of chemical reactions using RDKit
and the SMARTS concepts. I am testing, as an example, oxidation of aromatic
rings:

rxn = AllChem.ReactionFromSmarts(
'[#6:1]-[#8:2]-[c:3]1ccccc1>>[#8:2]-[c:3]1-cc-cc-c1')



If I understand correctly, the above reaction is limited to always using
benzene as a reagent. When I use naphthalene or anthracene as a reagent,
the product is always simple phenol. How do I make the reaction more
general?

Thanks for any help!

Best regards

Fernando