Acetate → HCID 136403415, compound
Reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH:16]=[CH:17][C:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[n:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH3:32][C:33](=[O:34])[O-:35].[ClH:28].[NH2:29][OH:30].[Na+:31]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([CH:16]=[CH:17][C:18]([CH2:19][O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[N:29][OH:30])[n:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]Participants
6
Sources & evidence
- ORD record
- ord-1cd1fb0aaaa34a1aa1f432fe7f0dfacf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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