p-(Methylsulphonyl)benzoic acid → HCID 72249179, compound
Reaction equation
[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]1.[NH2:1][CH2:2][CH:3]([CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[cH:13][c:14]([Cl:19])[c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[OH:20]>>[NH:1]([CH2:2][CH:3]([CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[cH:13][c:14]([Cl:19])[c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1)[OH:20])[C:29]([c:28]1[cH:27][cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:33][cH:32]1)=[O:30]Participants
3
Sources & evidence
- ORD record
- ord-989a4bc082544224b4b7f4153ed6cac5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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