Ethanol → HCID 23642008, compound
Reaction equation
[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][CH2:64][OH:65].[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:35]3[c:36]([O:44][CH3:45])[cH:37][cH:38][c:39]([CH:41]([CH3:42])[CH3:43])[cH:40]3)[c:26]([CH3:34])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:53])[F:54].[Na+:56].[OH-:55]>>[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:35]3[c:36]([O:44][CH3:45])[cH:37][cH:38][c:39]([CH:41]([CH3:42])[CH3:43])[cH:40]3)[c:26]([CH3:34])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]2)[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:53])[F:54]Participants
6
Sources & evidence
- ORD record
- ord-74e69def2f3945408d42b9434b62eba3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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