Acetic Acid → HCID 178428213, compound
Reaction equation
[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]([CH3:33])[CH2:28][C:29](=[O:32])[CH2:30][CH2:31]1.[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].[CH3:57][OH:58].[NH2:1][c:2]1[cH:3][c:4]([NH:8][C:9]([c:10]2[c:11]([Cl:17])[cH:12][c:13]([F:16])[cH:14][cH:15]2)=[O:18])[cH:5][cH:6][cH:7]1.[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[NH:1]([c:2]1[cH:3][c:4]([NH:8][C:9]([c:10]2[c:11]([Cl:17])[cH:12][c:13]([F:16])[cH:14][cH:15]2)=[O:18])[cH:5][cH:6][cH:7]1)[CH:29]1[CH2:28][CH:27]([CH3:33])[N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30]1Participants
8
Sources & evidence
- ORD record
- ord-406142adfe1e4736b098b6e73409297c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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