Ethanol → HCID 86626854, 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]([N:14]3[CH2:15][CH2:16][CH:17]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:18][CH2:19]3)[cH:12][n:13]2)[CH:25]([CH3:26])[c:27]2[c:28]([N:37]([CH2:38][CH2:39][CH3:40])[CH2:41][CH:42]3[CH2:43][CH2:44]3)[cH:29][cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]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]([N:14]3[CH2:15][CH2:16][CH:17]([C:20](=[O:21])[OH:22])[CH2:18][CH2:19]3)[cH:12][n:13]2)[CH:25]([CH3:26])[c:27]2[c:28]([N:37]([CH2:38][CH2:39][CH3:40])[CH2:41][CH:42]3[CH2:43][CH2:44]3)[cH:29][cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]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-fd21dcc8a8b242778c0a2c05bea67c5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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