Acetonitrile → 3-[N-{2-nitro-5-(2-chloro-4-isopropylsulphonylphenoxy)phenyl}amino]butyronitrile
Reaction equation
[CH3:33][C:34]#[N:35].[Cl:1][c:2]1[c:3]([O:14][c:15]2[cH:16][c:17]([N+:24]([O-:25])=[O:26])[c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH:11]([CH3:12])[CH3:13])[cH:7]1.[NH2:27][CH:28]([CH2:29][C:30]#[N:31])[CH3:32]>>[Cl:1][c:2]1[c:3]([O:14][c:15]2[cH:16][c:17]([NH:24][CH:28]([CH2:29][C:30]#[N:31])[CH3:32])[c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH:11]([CH3:12])[CH3:13])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-020998c91fd5468890335004eb7e0130
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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