preventing valence errors

I'd like some advice on how to write reaction rules to help prevent valence


errors in the products.





For example, how do I keep the attached reaction as general as possible but


prevent valence errors (for example, when naphthalene is the reactanct)?


I'm seeking advice both on excluding products based on valence (e.g, the 2-3


bond) and creating products with correct valence (e.g., the 3-4 and 1-2


bonds).

Thank you for reporting this problem! In general, atoms with changing bonds must be mapped, but this is a special case when Reactor should act without maps!





Reactor will recognize the case when an aromatic bond changed and try to rearomatize the whole system which will hopefully lead to correct products.

Solved in the new JChem 3.1.2 is release.