Acetic Acid → HCID 178500890, compound
Reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH3:27])[c:5]([O:12][c:13]2[n:14][cH:15][n:16][c:17]([O:19][c:20]3[c:21]([F:26])[cH:22][cH:23][cH:24][cH:25]3)[cH:18]2)[c:6]1[CH2:7][C:8](=[O:9])[O:10][CH3:11].[CH3:34][C:35](=[O:36])[OH:37].[CH:28](=[O:29])[O:30][CH3:31].[H-:32].[Na+:33].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH3:1][n:2]1[n:3][c:4]([CH3:27])[c:5]([O:12][c:13]2[n:14][cH:15][n:16][c:17]([O:19][c:20]3[c:21]([F:26])[cH:22][cH:23][cH:24][cH:25]3)[cH:18]2)[c:6]1[C:7]([C:8](=[O:9])[O:10][CH3:11])=[CH:28][OH:29]Participants
7
Sources & evidence
- ORD record
- ord-cb043d0341394aa39a455e962aeb63be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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