Re: [Rdkit-discuss] SMARTS for an amide in an aromatic ring

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

Re: [Rdkit-discuss] SMARTS for an amide in an aromatic ring

Try either of these: [N,n](C)-,:[C,c](=[O]) C[N,n]-,:[C,c](=[O]) TJ O'Donnell On Mon, Sep 18, 2017 at 4:26 PM, James T. Metz via Rdkit-discuss < rdkit-discuss@lists.sourceforge.net> wrote: > Hello, > > Given the following aromatic structure > > m = Chem.MolFromSmiles("CN1C=CC(N)=NC1=O") >