Acetic Acid → HCID 178476171, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]1[CH:7]([Cl:34])[CH:8]([O:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH:9]([O:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH:10]([O:11][C:12](=[O:13])[CH3:14])[O:15]1.[C:35]([OH:36])(=[O:37])[CH3:38].[NH2:39][NH2:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]1[CH:7]([Cl:34])[CH:8]([O:25][C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH:9]([O:16][C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[CH:10]([OH:11])[O:15]1Participants
5
Sources & evidence
- ORD record
- ord-9d7569288a95495a93b0b5ee7e6a4782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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