Acetic Acid → HCID 178460440, compound
Reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:63]([O:64][CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12](=[O:16])[nH:13][n:14][cH:15]2)[cH:9][cH:10]1)([CH:17]([F:18])[F:19])[F:20].[F:21][C:22]([F:23])([F:24])[S:25]([O:26][CH:27]([C:28](=[O:29])[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH3:38])(=[O:39])=[O:40].[H-:50].[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[F:1][C:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[n:11]2[c:12](=[O:16])[n:13]([CH:27]([C:28](=[O:29])[O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[CH3:38])[n:14][cH:15]2)[cH:9][cH:10]1)([CH:17]([F:18])[F:19])[F:20]Participants
10
Sources & evidence
- ORD record
- ord-a05e2b90a19e45f5a2571ef00cd1f11f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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