Acetic Acid → HCID 54275027, compound
Reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][S:46]([CH3:47])=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][NH2:8])[cH:9][cH:10][c:11]1[OH:12].[F:13][C:14]([c:15]1[cH:16][c:17]([CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]([CH:30]=[O:31])[c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]23)[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)([F:39])[F:40]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][N:8]=[CH:30][c:23]2[cH:22][cH:21][c:20]([O:19][CH2:18][c:17]3[cH:16][c:15]([C:14]([F:13])([F:39])[F:40])[cH:34][c:33]([C:35]([F:36])([F:37])[F:38])[cH:32]3)[c:29]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:9][cH:10][c:11]1[OH:12]Participants
6
Sources & evidence
- ORD record
- ord-54dfb714b80a45749c095c3d78a4d277
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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