Acetic Acid → HCID 69204760, compound
Reaction equation
[CH3:22][O:23][C:24](=[O:25])[c:26]1[n:27][c:28]2[cH:29][cH:30][cH:31][c:32]([NH2:36])[c:33]2[cH:34][cH:35]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1.[OH2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[N:36][c:32]2[cH:31][cH:30][cH:29][c:28]3[n:27][c:26]([C:24]([O:23][CH3:22])=[O:25])[cH:35][cH:34][c:33]32)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-1aa96b51db4246688f4ef0e43c952ed9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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