It could involve either a tautomeric solution or a zwitterionic solution. But it is not clear to me why the current structure needs to be altered. After all, pyridones are most commonly written as shown.
-P. On Sun, Sep 20, 2020 at 12:19 AM Markus Metz <metm...@gmail.com> wrote: > Dear Gao: > Your question is a tautomer related issue. > May be this might help you: > https://rdkit.blogspot.com/2020/01/trying-out-new-tautomer.html > https://github.com/rdkit/rdkit/issues/2908 > Best, > Markus > > > On Sep 19, 2020, at 9:03 AM, Gao, Zhenxiang <zhenxiang....@uconn.edu> > wrote: > > > > > > > > > > > > > > > > Hi folks, > > > > I have a simple question. Two double bonds in the following molecule are > outsides the two rings. Does Rdkit has some functions to move two double > bonds back to the rings? > > > > SMILES : Cc1ccc(=NC(=O)N=c2[nH]c(C)cn2C)[nH]c1 > > <image001.jpg> > > > > Thanks, > > Jason Gao > > > > > > > > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > > _______________________________________________ > > Rdkit-discuss mailing list > > Rdkit-discuss@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > -- -P. Sent from a cell phone. Pls forgive brvty and m1$tea@ks.
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