p-Toluenesulfonic acid → HCID 178525060, compound
Reaction equation
[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH:21]([NH2:22])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30].[CH2:52]([Cl:53])[Cl:54].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[cH:38]1[c:39]([S:48](=[O:49])(=[O:50])[Cl:51])[cH:40][cH:41][c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]12>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH:21]([NH:22][S:48]([c:39]1[cH:38][c:47]2[c:42]([cH:41][cH:40]1)[cH:43][cH:44][cH:45][cH:46]2)(=[O:49])=[O:50])[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30]Participants
6
Sources & evidence
- ORD record
- ord-b49bf81bbf1c4020938f2efd9ea14576
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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