Chloride → 2-Butenedioic acid
Reaction equation
[C:34]([CH:35]=[CH:36][C:37](=[O:38])[O-:39])(=[O:40])[O-:41].[Cl-:51].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11](=[S:20])[NH:12][c:13]3[c:14]2[cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[Cl:24][CH2:25][CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[ClH:23].[K+:22].[Na+:50].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:21].[OH:42][C:43]([CH:44]=[CH:45][C:46](=[O:47])[OH:48])=[O:49]>>[C:34]([CH:35]=[CH:36][C:37](=[O:38])[OH:39])(=[O:40])[OH:41].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11]([S:20][CH2:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)=[N:12][c:13]3[c:14]2[cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1Participants
12
Reactant 10
Product 2
Sources & evidence
- ORD record
- ord-f3c8523274974225afc9092a60b29cf3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…