4-(Chlorosulfonyl)benzoic acid → HCID 58614732, compound
Reaction equation
[CH3:14][CH:15]1[CH2:16][NH:17][CH2:18][CH:19]([CH3:20])[O:21]1.[CH3:36][CH:37]1[O:38][CH:39]([CH3:55])[CH2:40][N:41]([S:43](=[O:44])(=[O:45])[c:46]2[cH:47][cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54]2)[CH2:42]1.[Cl:1][S:2]([c:3]1[cH:4][cH:5][c:6]([C:7]([OH:8])=[O:9])[cH:10][cH:11]1)(=[O:12])=[O:13].[Cl:22][c:23]1[c:24](-[c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[cH:25][c:26]([NH2:27])[cH:28][cH:29]1>>[Cl:22][c:23]1[c:24](-[c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[cH:25][c:26]([NH:27][C:50]([c:49]2[cH:48][cH:47][c:46]([S:43]([N:41]3[CH2:40][CH:39]([CH3:55])[O:38][CH:37]([CH3:36])[CH2:42]3)(=[O:44])=[O:45])[cH:54][cH:53]2)=[O:51])[cH:28][cH:29]1Participants
5
Sources & evidence
- ORD record
- ord-23270b4b6e5c42e49834c4d9ef4864bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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