HCID 19609792, compound → HCID 86641440, compound
Reaction equation
[Br:1][c:2]1[c:3]([OH:13])[c:4]([C:5](=[O:6])[OH:7])[c:8]([CH3:12])[c:9]([Cl:11])[cH:10]1.[Cl:14][c:15]1[c:16]([NH2:17])[cH:18][cH:19][c:20]([S:22](=[O:23])(=[O:24])[C:25]([F:26])([F:27])[F:28])[cH:21]1>>[Br:1][c:2]1[c:3]([OH:13])[c:4]([C:5](=[O:7])[NH:17][c:16]2[c:15]([Cl:14])[cH:21][c:20]([S:22](=[O:23])(=[O:24])[C:25]([F:26])([F:27])[F:28])[cH:19][cH:18]2)[c:8]([CH3:12])[c:9]([Cl:11])[cH:10]1Participants
3
Sources & evidence
- ORD record
- ord-81ef6ce10df045bc900fb39dfa76e06b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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