Acetic Acid → HCID 59577898, compound
Reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[C:23]([OH:24])(=[O:25])[CH3:26].[C:49]([CH3:50])([CH3:51])([CH3:52])[O:53][CH2:54][C:55](=[O:56])[OH:57].[F:27][C:28]([O:29][c:30]1[cH:31][cH:32][c:33]([N:36]2[C:37](=[O:46])[C:38]3([CH2:39][CH2:40]2)[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]3)[cH:34][cH:35]1)([F:47])[F:48].[n:6]1([O:7][C:8]([N:9]([CH3:10])[CH3:11])=[N+:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1>>[F:27][C:28]([O:29][c:30]1[cH:31][cH:32][c:33]([N:36]2[C:37](=[O:46])[C:38]3([CH2:39][CH2:40]2)[CH2:41][CH2:42][N:43]([C:55]([CH2:54][O:53][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:56])[CH2:44][CH2:45]3)[cH:34][cH:35]1)([F:47])[F:48]Participants
6
Sources & evidence
- ORD record
- ord-11e2f03cad7b4d29a7949a2e776f992a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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