Ethanol → 2-Butenedioic acid
Reaction equation
[C:32]([CH:33]=[CH:34][C:35](=[O:36])[O-:37])(=[O:38])[O-:39].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:58][CH2:59][OH:60].[CH:48]([O:49][CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl:27][C:28](=[O:29])[O:30][CH3:31].[Cl:55][CH2:56][Cl:57].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][NH2:17])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:18][cH:19]1.[OH:40][C:41]([CH:42]=[CH:43][C:44](=[O:45])[OH:46])=[O:47]>>[C:32]([CH:33]=[CH:34][C:35](=[O:36])[OH:37])(=[O:38])[OH:39].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([CH:9]3[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][NH:17][C:28](=[O:29])[O:30][CH3:31])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:18][cH:19]1Participants
10
Reactant 8
Product 2
Sources & evidence
- ORD record
- ord-7e7d5d0845d04f809e0d056a2cde665f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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