p-Toluenesulfonic acid → HCID 14476375, compound
Reaction equation
[CH2:53]([Cl:54])[Cl:55].[NH2:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:12]1([C:18]2=[CH:23][CH2:22][N:21]([CH2:24][CH2:25][CH2:26][N:27]3[C:28](=[O:37])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[CH:35]3[OH:36])[CH2:20][CH2:19]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[c:45]1([CH3:46])[c:47]([CH3:48])[cH:49][cH:50][cH:51][cH:52]1>>[c:12]1([C:18]2=[CH:23][CH2:22][N:21]([CH2:24][CH2:25][CH2:26][N:27]3[C:28](=[O:37])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]4[CH:35]3[NH:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:20][CH2:19]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1Participants
6
Sources & evidence
- ORD record
- ord-982b394a7c244674ad0425c120d36e49
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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