Acetic Acid → HCID 53740391, compound
Reaction equation
[CH3:23][C:24]([Cl:25])=[O:26].[CH3:27][C:28](=[O:29])[OH:30].[n:1]1([CH:6]([c:7]2[cH:8][c:9]([N+:14](=[O:15])[O-:16])[c:10]([NH2:13])[cH:11][cH:12]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH:6]([c:7]2[cH:8][c:9]([N+:14](=[O:15])[O-:16])[c:10]([NH:13][C:24]([CH3:23])=[O:26])[cH:11][cH:12]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:2][n:3][cH:4][cH:5]1Participants
4
Sources & evidence
- ORD record
- ord-d2af3c480d894c12bc977b2b575aa537
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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