Undesired reaction rule application.

Hi. I have a small problem. As shown above, I defined the simple electron transfer reaction.

The problem is even though the reactant is a radical which is the same structure of the product of the reaction rule, this rule runs. Of course nothing changes after running the rule. However, I would like to know if I can solve this problem.

Please let me know.

 

Yes, it can be done with Reactor.

Example:

$ react -r et_reaction.mrv "CN(C)CC1CCCCC1(O)c1ccccc1"

C[N+](C)CC1CCCCC1(O)c1ccccc1

The reaction schema is attached.

Thank you for your reply.

But I am afraid that I am confused with your answer. Maybe my question was not clear... My problem is that.. even though a neutral amine as a reactant is only intended to run by the one electron transfer reaction rule shown above to give a radical as a product. But this rule even runs with a radical reactant although it gives nothing else than the same radical species. In other words, if I use the product of this reaction as a reactant for the same rule, it works again. I want to know the way how to prevent this reaction..

Please let me know

 

Sorry for the late answer. 

I'm sending the reaction file:  "et_reaction_radical.mrv".
The neutral reactant is set by a SMARTS value [+O] (no charge on the atom), and a radical reactant is shut out as a reactivity rule using a Chemical Terms function (hasRadical()).

I hope it will work as expected.

Best Regards, 

Viktoria