Acetic Acid → HCID 13687203, compound
Reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Cl:1][c:2]1[cH:3][c:4]([F:21])[c:5](-[n:11]2[n:12][c:13]3[c:18]([c:19]2[CH3:20])[CH2:17][CH2:16][CH2:15][CH2:14]3)[cH:6][c:7]1[N+:8]([O-:9])=[O:10].[Fe:32]>>[Cl:1][c:2]1[cH:3][c:4]([F:21])[c:5](-[n:11]2[n:12][c:13]3[c:18]([c:19]2[CH3:20])[CH2:17][CH2:16][CH2:15][CH2:14]3)[cH:6][c:7]1[NH2:8]Participants
5
Sources & evidence
- ORD record
- ord-3b9648d0a6674f8e9d718a697ce7654c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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