Acetic Acid → HCID 21288067, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([CH:20]([CH3:21])[O:22][CH2:23][CH3:24])[c:16]3[c:17]2[c:18]1[CH3:19].[CH3:27][CH2:28][OH:29].[CH3:30][C:31](=[O:32])[OH:33].[Na+:26].[OH-:25]>>[O:3]=[C:4]([OH:5])[c:6]1[n:7][cH:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([CH:20]([CH3:21])[O:22][CH2:23][CH3:24])[c:16]3[c:17]2[c:18]1[CH3:19]Participants
6
Sources & evidence
- ORD record
- ord-2ee652dbe12341489155153eb9f9fe94
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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