Acetic Acid → HCID 66623051, compound
Reaction equation
[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40]([NH:41][CH2:42][CH2:43][NH2:44])=[O:45].[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[C:60]([OH:61])(=[O:62])[CH3:63].[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([N:7]([CH3:8])[CH:9]([CH2:10][O:11][C:12]([NH:13][c:14]2[n:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23]2)=[O:24])[CH2:25][CH2:26][CH:27]=[O:28])=[O:29])[cH:30][cH:31][cH:32][c:33]1[F:34].[Na+:59]>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][C:6]([N:7]([CH3:8])[CH:9]([CH2:10][O:11][C:12]([NH:13][c:14]2[n:15][cH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[cH:23]2)=[O:24])[CH2:25][CH2:26][CH2:27][NH:44][CH2:43][CH2:42][NH:41][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:45])=[O:29])[cH:30][cH:31][cH:32][c:33]1[F:34]Participants
6
Sources & evidence
- ORD record
- ord-12c16211bca449d18bf3e6d560728813
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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