Ethanol → HCID 25218232, compound
Reaction equation
[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][OH:64].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:12][n:13]2)[CH2:23][c:24]2[c:25](-[c:34]3[n:35][c:36]([CH:42]([CH3:43])[CH3:44])[cH:37][cH:38][c:39]3[O:40][CH3:41])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53].[Na+:55].[OH-:54]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[OH:20])[cH:12][n:13]2)[CH2:23][c:24]2[c:25](-[c:34]3[n:35][c:36]([CH:42]([CH3:43])[CH3:44])[cH:37][cH:38][c:39]3[O:40][CH3:41])[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:45][c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]1)([F:52])[F:53]Participants
6
Sources & evidence
- ORD record
- ord-6fdf3684d96b49cfa4a603372ba691f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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