Acetic Acid → HCID 22170188, compound
Reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[Cl:19][c:20]1[c:21]([CH3:27])[c:22]([NH2:23])[cH:24][cH:25][cH:26]1.[Cl:1][c:2]1[c:3]([C:16](=[O:17])[NH2:18])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[Na+:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH-:32].[OH2:39]>>[c:2]1([NH:23][c:22]2[c:21]([CH3:27])[c:20]([Cl:19])[cH:26][cH:25][cH:24]2)[c:3]([C:16](=[O:17])[NH2:18])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-8d841659a4204a7a9b548ec43b7ddc09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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