Acetate → HCID 136388571, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:12]([cH:13][c:14]1[OH:15])[CH:11]1[CH2:10][N:9]([C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:8][CH:7]2[CH2:16]1.[C:26]([O-:27])(=[O:28])[CH3:29].[CH3:31][OH:32].[ClH:25].[NH2:23][OH:24].[Na+:30].[OH2:33]>>[C:1]([CH3:2])([c:4]1[cH:5][c:6]2[c:12]([cH:13][c:14]1[OH:15])[CH:11]1[CH2:10][N:9]([C:17]([C:18]([F:19])([F:20])[F:21])=[O:22])[CH2:8][CH:7]2[CH2:16]1)=[N:23][OH:24]Participants
8
Sources & evidence
- ORD record
- ord-585572692e3f47398d0bee3f6436a376
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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