Ethanol → HCID 178504500, compound
Reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][N:15]([C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([CH:30]([O:31][SiH:32]([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]2)[c:39]2[cH:40][cH:41][c:42]([CH:45]3[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]3)[cH:43][cH:44]2)[cH:12][cH:13]1)=[O:51])[OH:52])=[O:53].[CH3:56][CH2:57][OH:58].[Na+:55].[OH-:54]>>[O:2]=[C:3]([CH:4]([CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][N:15]([C:16](=[O:17])[NH:18][c:19]2[cH:20][c:21]([CH:30]([O:31][SiH:32]([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]2)[c:39]2[cH:40][cH:41][c:42]([CH:45]3[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]3)[cH:43][cH:44]2)[cH:12][cH:13]1)=[O:51])[OH:52])[OH:53]Participants
5
Sources & evidence
- ORD record
- ord-6760e009ad434f198879c9dad366a2a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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