Acetic Acid → HCID 178484238, compound
Reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([N:32]([CH2:33][CH:34]=[O:35])[CH3:36])=[O:37].[C:38]([BH3-:39])#[N:40].[CH3:22][C:23](=[O:24])[OH:25].[CH3:42][OH:43].[CH:1]1([NH:10][c:11]2[n:12][c:13]3[cH:14][cH:15][c:16]([NH2:21])[cH:17][c:18]3[cH:19][cH:20]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[Na+:41]>>[CH:1]1([NH:10][c:11]2[n:12][c:13]3[cH:14][cH:15][c:16]([NH:21][CH2:34][CH2:33][N:32]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:37])[CH3:36])[cH:17][c:18]3[cH:19][cH:20]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21Participants
7
Sources & evidence
- ORD record
- ord-658721ed39694352b7983be16a1b25a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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