Acetic Acid → HCID 58804027, compound
Reaction equation
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:49][C:50](=[O:51])[OH:52].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[cH:8][n:9][c:10]([C:18](=[O:19])[c:20]3[c:21]([CH2:32][O:33][CH:34]4[CH2:35][CH2:36][CH2:37][CH2:38][O:39]4)[n:22][o:23][c:24]3-[c:25]3[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]3)[c:11]2-[c:12]2[cH:13][n:14][cH:15][cH:16][cH:17]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48].[OH2:53]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][n:7]2[cH:8][n:9][c:10]([C:18](=[O:19])[c:20]3[c:21]([CH2:32][OH:33])[n:22][o:23][c:24]3-[c:25]3[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]3)[c:11]2-[c:12]2[cH:13][n:14][cH:15][cH:16][cH:17]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48]Participants
5
Sources & evidence
- ORD record
- ord-95c02a597f9a4e1e82c88dec0f461578
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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