Acetic Acid → HCID 21187694, compound
Reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[NH:27][CH:28]1[CH2:29][NH:30][CH2:31][CH2:32]1.[C:33]([BH3-:34])#[N:35].[C:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH3:44].[CH3:16][C:17](=[O:18])[OH:19].[CH3:37][OH:38].[CH3:45][CH:46]([OH:47])[CH3:48].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:15])[CH2:9][CH2:10][C:11](=[O:14])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:36]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:15])[CH2:9][CH2:10][CH:11]([N:30]3[CH2:29][CH:28]([NH:27][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-e45d311dc72b49339e8ce99e905e132b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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