Acetic Acid → HCID 59843223, compound
Reaction equation
[C:46]([BH3-:47])#[N:48].[CH3:30][N:31]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:39][CH:40]=[O:41].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][OH:51].[NH2:1][CH2:2][c:3]1[cH:4][c:5](-[n:9]2[n:10][c:11]([C:26]([F:27])([F:28])[F:29])[cH:12][c:13]2[C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7][cH:8]1.[Na+:49]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5](-[n:9]2[n:10][c:11]([C:26]([F:27])([F:28])[F:29])[cH:12][c:13]2[C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:6][cH:7][cH:8]1)[CH2:40][CH2:39][N:31]([CH3:30])[C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38]Participants
7
Sources & evidence
- ORD record
- ord-07df358db50b4131915e37f0ff2ad661
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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