Re: [Rdkit-discuss] Fragmentation Help

Hi Ben, you could use SMARTS queries to do that, e.g.: from rdkit import Chem from rdkit.Chem.Draw import IPythonConsole RDKit WARNING: [19:50:41] Enabling RDKit 2020.03.1dev1 jupyter extensions sucrose =

[Rdkit-discuss] Concatenate Smiles

Hello everyone, I'm trying to concatenate two smiles to get the product of some reactions. In general, it is mostly clear where the bond is formed. An example: Nucleophile: O=C1CCC(=O)[N-]1 Substrate: C1=C2CCCN3CCC(=C23)C=C1[CH+]C1=CC2=C3C(=C1)CCCN3CC2 I want to rearrange the smiles always under