User ec47cc00a1
24-09-2010 20:21:00
I am using MarvinSketch to create a structure query for database (Jchem Base in the back-end)
I have a question
about the use of the "NOT list" function. Specifically, I would like to
find compounds of the structure:
C-NH-C
Where the carbon atoms are not bonded to oxygen atoms (ie,
I'm looking for amines, not amides). I can do this in the structure
editor by setting up a query:
notO-C-NH-C-notO
Unfortunately, it still pulls up compounds that have the structure:
C-NH-C=O
I've even changed the bond between the "C" and the "notO" to "any", and it still doesn't limit the compounds.
Is there a syntax I can use to find these?