I do not know the valence model of RDkit. Therefore below there is an
ugly but working solution: set to the S+ atom NoImplicit.
mol = Chem.MolFromSmiles('CC(C)(C)SC')
rxn =
AllChem.ReactionFromSmarts('[CH0:1][S:2][CH3:3]>>[C:1][SH0+:2].[CH3-:3]')
ps = rxn.RunReactants((mol,))
Hello,
I am trying to formulate a reaction that describes a disconnection of a
terminal methyl group from a sulfide while leaving two ions - [S+] and
[CH3-].
Herein is my code:
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem.Descriptors import *
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