Tautomrs and Deuterium

User 4e4b708dbd

20-05-2008 11:08:20

When I take deuterated phenol


and run the tautomer plugin I get just plain phenol.

I that supposed to work that way? It looks a bit odd when tautomer option is used with perfect search. I search for deuterated but in results I get just plain phenol. True, it does not make sense to use tautomers in this case. But I am a bit surprised that all D's disappeared.

User 851ac690a0

20-05-2008 11:54:56


You are right.

The problem is that the tautomer generator converts both the 2H and the 3H isotopes into the 1H type, therefore, the tautomer search is not correct.

We are going to fix this problem soon.