Dear developers:
As shown bellow, compd_A could be converted to compd_B within serveral reaction
transformations.
Atoms in red circle(compd_A) are identify as activated atoms, and the other
atoms should be protected when precessing transformations. Is there some way I
could identify the atom index in red circle(compd_A)? And then, I can
exclude them, and use the code like:
Compd_A.GetAtomWithIdx(index).SetProp('_protected','1') to protect the other
atoms before transforming.
SMILES: (1)compd_a:NC1=C2C=CC(=CC2=NC=C1);(2)compd_b:
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Best wishes,
Shaozhen
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