Acetic Acid → HCID 86601225, compound
Reaction equation
[CH3:48][C:49](=[O:50])[OH:51].[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][CH:33]4[O:34][CH2:37][CH2:36][O:35]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:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46].[OH2:47]>>[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][CH:33]=[O:34])[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:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)([F:45])[F:46]Participants
4
Sources & evidence
- ORD record
- ord-496687d588ec45438ea19bce4e9357b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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