Dear all,
I browsed the rdkit-discuss mail archives but couldn't find anything helpful.
I just wanted to have a couple of lines of example code (written in C++, not
python!) on how to transform a protonated -COOH group into a deprotonated one
-COO[-]. I experimented with the
RDKit::RxnSmartsToChemicalReaction("[C:1](=[O:2])[OH:3]>>[C:1](=[O:2])[OH0;-:3]")
function, but I get stuck on how to proceed further, e.g. defining the
reactants and processing the products.
Any help?
Kind regards,
Hans
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