p-Toluenesulfonic acid → HCID 67117827, compound
Reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([CH:14]=[CH2:15])([F:16])[C:10](=[O:13])[N:11]2[CH3:12].[NH2:23][c:24]1[cH:25][c:26]([F:36])[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][c:33]1[O:34][CH3:35].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[c:2]1([NH:23][c:24]2[cH:25][c:26]([F:36])[c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][c:33]2[O:34][CH3:35])[n:3][cH:4][c:5]2[c:6]([n:22]1)[N:7]([CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21]1)[CH2:8][C:9]([CH:14]=[CH2:15])([F:16])[C:10](=[O:13])[N:11]2[CH3:12]Participants
5
Sources & evidence
- ORD record
- ord-777ce7c23c854ceabc8771b0902b471b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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