Acetic Acid → HCID 58997344, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2)[cH:11][cH:12][cH:13]1)=[O:22].[C:29]([BH3-:30])#[N:31].[CH2:23]=[O:24].[CH3:25][C:26](=[O:27])[OH:28].[CH3:33][OH:34].[Na+:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([N:14]([CH:15]2[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2)[CH3:25])[cH:11][cH:12][cH:13]1)=[O:22]Participants
7
Sources & evidence
- ORD record
- ord-1fec13fecd1e40f08f92a950e4f06c54
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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