Acetic Acid → HCID 12506855, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]([CH3:20])[c:9]([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[c:10]1[CH3:11].[CH3:26][C:27](=[O:28])[OH:29].[NH4+:21].[O-:22][N+:23](=[O:24])[O-:25].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:30]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]([CH:20]=[O:22])[c:9]([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[c:10]1[CH3:11]Participants
7
Sources & evidence
- ORD record
- ord-e58e7fa2892e4aceb9fbb60795d06d25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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