Problem with detecting amides, amines and carbonyls. #7283
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hannahgittins
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Hi rdkit team,
I hope that you are well.
I've been using the rdkit.Chem.Fragments (https://www.rdkit.org/docs/source/rdkit.Chem.Fragments.html#module-rdkit.Chem.Fragments). With the following molecule: O=C1Nc2ccccc2C2=C1CCc1ccccc21, which clearly contains a carbonyl group but when searched for using fr_C_O() function, it returns 0.
Furthermore, when searching for amides, it also returns 0. How do you define the amide functional group function? As the functional group could be classified as an amide or an acrylamide, but acrylamide searching function has not been included.
Moreover, when looking for amines within in this molecule it returns 1 (for the secondary amine function), this should be 0 as it is an amide/acrylamide - I've noticed this problem with other molecules containing amide too.
Thank you!
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