Methanol → 4-{[2-(3-Methylphenyl)-4-oxopentanoyl]sulfamoyl}benzoic acid
Reaction equation
[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH2:47]([O:48][CH2:49][CH3:50])[CH3:51].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([S:10]([NH:11][C:12]([CH:13]([CH2:14][C:15]([CH3:16])=[O:17])[c:18]2[cH:19][c:20]([CH3:24])[cH:21][cH:22][cH:23]2)=[O:25])(=[O:26])=[O:27])[cH:8][cH:9]1)=[O:28].[CH3:34][OH:35].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[Li+:38].[OH-:37].[OH2:36].[OH2:39].[OH2:40]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([S:10]([NH:11][C:12]([CH:13]([CH2:14][C:15]([CH3:16])=[O:17])[c:18]2[cH:19][c:20]([CH3:24])[cH:21][cH:22][cH:23]2)=[O:25])(=[O:26])=[O:27])[cH:8][cH:9]1)[OH:28]Participants
9
Sources & evidence
- ORD record
- ord-55a9f48ec8a647f18d4104bd699dec42
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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