4-(Chlorosulfonyl)benzoic acid → HCID 58614909, compound
Reaction equation
[C:37]([CH3:38])(=[O:39])[N:40]1[CH2:41][CH2:42][N:43]([S:46](=[O:47])(=[O:48])[c:49]2[cH:50][cH:51][c:52]([C:53](=[O:54])[OH:55])[cH:56][cH:57]2)[CH2:44][CH2:45]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:23][c:24]1[c:25](-[c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:26][c:27]([NH2:28])[cH:29][cH:30]1.[N:14]1([C:15](=[O:16])[CH3:17])[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1>>[Cl:23][c:24]1[c:25](-[c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:26][c:27]([NH:28][C:53]([c:52]2[cH:51][cH:50][c:49]([S:46]([N:43]3[CH2:42][CH2:41][N:40]([C:37]([CH3:38])=[O:39])[CH2:45][CH2:44]3)(=[O:47])=[O:48])[cH:57][cH:56]2)=[O:54])[cH:29][cH:30]1Participants
5
Sources & evidence
- ORD record
- ord-5c8d9cb120934bc280774c2970a99d03
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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