Acetic Acid → HCID 20152418, compound
Reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[Cl:1][c:2]1[c:3](-[c:8]2[o:9][c:10]([CH3:25])[c:11]([CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([N+:22]([O-:23])=[O:24])[cH:20][cH:21]3)[n:12]2)[cH:4][cH:5][cH:6][cH:7]1.[Fe:30].[OH2:31]>>[Cl:1][c:2]1[c:3](-[c:8]2[o:9][c:10]([CH3:25])[c:11]([CH2:13][CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]([NH2:22])[cH:20][cH:21]3)[n:12]2)[cH:4][cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-893d5b72d1c8436b88b7155d34c25eba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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