p-Toluenesulfonic acid → HCID 21955966, compound
Reaction equation
[CH3:1][CH:2]([CH2:3][O:4][C:5](=[O:6])[NH:7][c:8]1[s:9][c:10](-[c:19]2[n:20][c:21]([I:25])[n:22][cH:23][cH:24]2)[c:11](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:12]1)[CH3:26].[NH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[CH3:1][CH:2]([CH2:3][O:4][C:5](=[O:6])[NH:7][c:8]1[s:9][c:10](-[c:19]2[n:20][c:21]([NH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:22][cH:23][cH:24]2)[c:11](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:12]1)[CH3:26]Participants
5
Sources & evidence
- ORD record
- ord-1c903ee162ca43a89ac5b15689f2d442
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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