p-Toluenesulfonic acid → HCID 178518488, compound
Reaction equation
[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([NH:8][CH:9]3[CH2:10][CH2:11]3)[cH:7]1)[n:12][cH:13][c:14]2[CH:15]=[C:16]1[C:17](=[O:22])[NH:18][C:19](=[O:21])[S:20]1.[Cl:23][c:24]1[cH:25][c:26]([NH2:27])[cH:28][cH:29][cH:30]1.[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[c:2]1([NH:27][c:26]2[cH:25][c:24]([Cl:23])[cH:30][cH:29][cH:28]2)[n:3][c:4]2[n:5]([c:6]([NH:8][CH:9]3[CH2:10][CH2:11]3)[cH:7]1)[n:12][cH:13][c:14]2[CH:15]=[C:16]1[C:17](=[O:22])[NH:18][C:19](=[O:21])[S:20]1Participants
5
Sources & evidence
- ORD record
- ord-9257bbea62a4472c87c9ae2a064cc871
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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