Acetic Acid → HCID 22288621, compound
Reaction equation
[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:34][C:35](=[O:36])[OH:37].[CH3:52][N:53]1[CH2:54][CH2:55][CH2:56][C:57]1=[O:58].[CH:26](=[O:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11][n:12][c:13]([CH2:15][CH2:16][C:17](=[O:18])[NH:19][CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[o:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:51]>>[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11][n:12][c:13]([CH2:15][CH2:16][C:17](=[O:18])[NH:19][CH:20]3[CH2:21][CH2:22][N:23]([CH2:26][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[CH2:24][CH2:25]3)[o:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-f49fd0f65152422f93bc913052d8efbb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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