Acetic Acid → HCID 45274410, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:56][C:57](=[O:58])[OH:59].[Cl:60][CH2:61][Cl:62].[F:29][c:30]1[cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36][c:37]1[C:38]([F:39])([F:40])[F:41].[NH:1]1[CH2:2][CH:3]([NH:5][C:6]([CH2:7][N:8]2[C:9](=[O:27])[C:10]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)=[O:28])[CH2:4]1.[Na+:55]>>[N:1]1([CH2:33][c:32]2[cH:31][c:30]([F:29])[c:37]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:35]2)[CH2:2][CH:3]([NH:5][C:6]([CH2:7][N:8]2[C:9](=[O:27])[C:10]([c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[CH2:11][CH2:12]2)=[O:28])[CH2:4]1Participants
7
Sources & evidence
- ORD record
- ord-1a034ab3a283424ca969101a12f608ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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