p-(Methylsulphonyl)benzoic acid → HCID 22397441, compound
Reaction equation
[CH3:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]1.[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([CH:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[Cl:8]>>[Cl:1][c:2]1[cH:3][c:4]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH2:14][N:15]([CH:18]3[CH2:19][CH2:20][N:21]([C:32]([c:31]4[cH:30][cH:29][c:28]([S:25]([CH3:24])(=[O:26])=[O:27])[cH:36][cH:35]4)=[O:33])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[Cl:8]Participants
3
Sources & evidence
- ORD record
- ord-2b8aac2b60954076afd4f48399e2b3eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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