Acetic Acid → HCID 69254958, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][NH:15][CH2:16][c:17]2[c:18]([Cl:27])[c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[cH:8][cH:9][cH:10]1)=[O:28].[CH3:29][C:30](=[O:31])[OH:32].[Cl:56][CH2:57][Cl:58].[Na+:55].[OH2:59].[s:33]1[cH:34][c:35]([CH:38]([CH:39]=[O:40])[CH3:41])[cH:36][cH:37]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][c:17]2[c:18]([Cl:27])[c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]2)[CH2:39][CH:38]([c:35]2[cH:34][s:33][cH:37][cH:36]2)[CH3:41])[cH:8][cH:9][cH:10]1)=[O:28]Participants
8
Sources & evidence
- ORD record
- ord-bb374f8404bf42ac99db48cc12eb95f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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