Hi James,
what about '[nX3]c=O'?
p.
On 09/19/2017 12:26 AM, James T. Metz via Rdkit-discuss wrote:
Hello,
Given the following aromatic structure
m = Chem.MolFromSmiles("CN1C=CC(N)=NC1=O")
I would like to construct a SMARTS pattern to
recognize the aromatic amide (nitrogen attached to
the exocyclic methyl group) and not recognize the other
NCO group of atoms.
I have tried
pattern = Chem.MolFromSmarts('[N,n]-,:[C,c](=[O])')
but, this matches */both/* NCO groups of atoms which
I do not want.
The completely "aliphatic version"
pattern = Chem.MolFromSmarts('[N]-[C](=[O])')
does not match either NCO group of atoms.
I am stumped. I have also tried several recursive
SMARTS expressions, but I can't get the syntax
right.
I would appreciate any suggestions. Thank you.
Regards,
Jim Metz
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