Acetic Acid → HCID 59591434, compound
Reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH:25]([O-:26])=[O:27].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([CH2:10][O:11][c:12]3[c:13]([F:23])[c:14]([C:19]([NH2:20])=[N:21][OH:22])[c:15]([F:18])[cH:16][cH:17]3)[s:9]2)[cH:24]1.[NH4+:28]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([CH2:10][O:11][c:12]3[c:13]([F:23])[c:14]([C:19](=[NH:20])[NH2:21])[c:15]([F:18])[cH:16][cH:17]3)[s:9]2)[cH:24]1Participants
5
Sources & evidence
- ORD record
- ord-82ce6f2cfd074fc7a6f67d4887c22080
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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