Acetic Acid → HCID 18425022, compound
Reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH3:28][CH2:29][OH:30].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[Cl:1][c:2]1[c:3]([CH2:12][c:13]2[c:14]([Cl:23])[c:15]([Cl:22])[cH:16][c:17]([N+:19]([O-:20])=[O:21])[cH:18]2)[n:4][n:5]([CH3:11])[c:6]1[O:7][CH:8]([F:9])[F:10].[Fe:31]>>[Cl:1][c:2]1[c:3]([CH2:12][c:13]2[c:14]([Cl:23])[c:15]([Cl:22])[cH:16][c:17]([NH2:19])[cH:18]2)[n:4][n:5]([CH3:11])[c:6]1[O:7][CH:8]([F:9])[F:10]Participants
6
Sources & evidence
- ORD record
- ord-ae1c403538bc41b4983dbc11a7afb693
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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