Hello to all,

I am trying to write a RDkit reaction, using Recursive SMARTS to better
define the atoms participating in the reaction.

For example, in this fragmentation reaction:

rxn = AllChem.ReactionFromSmarts('[C:1][O:2][C:3]>>[C:1].[O:2]=[C:3]')

I would like for [C:1] to define the carbon as  [$(C1=CC=CC=C1),$(C1=CNC=C1
)] (I prefer to kekulize the molecules).

Hope someone can advice me about that


Nitzan

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