1-Butanol → 2-Butenedioic acid
Reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[C:44]([CH:45]=[CH:46][C:47](=[O:48])[O-:49])(=[O:50])[O-:51].[CH2:52]([OH:53])[CH2:54][CH2:55][CH3:56].[CH:57]([Cl:58])([Cl:59])[Cl:60].[Cl:22][CH2:23][CH2:24][CH2:25][O:26][c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[NH2:33])[cH:34][cH:35]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1.[I-:43].[K+:40].[K+:41].[K+:42]>>[C:44]([CH:45]=[CH:46][C:47](=[O:48])[OH:49])(=[O:50])[OH:51].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]2[CH2:10][CH2:11][N:12]([CH2:23][CH2:24][CH2:25][O:26][c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[NH2:33])[cH:34][cH:35]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:6][cH:7]1Participants
10
Reactant 8
Product 2
Sources & evidence
- ORD record
- ord-4845a722593e41e09c1327355655024c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…