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trivalent chlorine in phosphorochloridates

Open IngvarLa opened this issue 1 year ago • 1 comments

Similar issue to #250 for instance: phenyl (benzyloxy-D-alaninyl)phosphorochloridate comes out as: C(C1=CC=CC=C1)ON[C@H](C)C(=O)[ClH]P(OC1=CC=CC=C1)([O-])=O would expect C[C@H](C(OP(OC1=CC=CC=C1)(Cl)=O)=O)NOCC2=CC=CC=C2

Taken from patent EP1928475B1 Example 32 Note the trivalent Cl

IngvarLa avatar Sep 27 '24 17:09 IngvarLa

Markup updated the SMILES, should be C(C1=CC=CC=C1)ON[C@H](C)C(=O)[ClH]P(OC1=CC=CC=C1)([O-])=O C[C@H](C(OP(OC1=CC=CC=C1)(Cl)=O)=O)NOCC2=CC=CC=C2

IngvarLa avatar Sep 27 '24 17:09 IngvarLa