Ethanol → HCID 86626791, 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][OH:17])[cH:12][n:13]2)[CH2:18][c:19]2[c:20]([N:29]([CH2:30][CH3:31])[CH2:32][CH:33]3[CH2:34][CH2:35][CH:36]([CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH2:37][CH2:38]3)[cH:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]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][OH:17])[cH:12][n:13]2)[CH2:18][c:19]2[c:20]([N:29]([CH2:30][CH3:31])[CH2:32][CH:33]3[CH2:34][CH2:35][CH:36]([CH2:39][C:40](=[O:41])[OH:42])[CH2:37][CH2:38]3)[cH:21][cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]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-3e723ac67e4b408fb44b81faf3562ce9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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