Acetonitrile → N-(1-(5-chloro-2,3-dimethoxyphenyl)ethyl)-5-(4-methylpiperazin-1-yl)-2-(methylsulfonyl)benzenamine
Reaction equation
[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:42][C:43]#[N:44].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][c:4]([O:24][CH3:25])[c:5]([O:22][CH3:23])[c:6]([CH:8]([CH3:9])[NH:10][c:11]2[c:12]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:13][cH:14][c:15]([F:17])[cH:16]2)[cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([O:24][CH3:25])[c:5]([O:22][CH3:23])[c:6]([CH:8]([CH3:9])[NH:10][c:11]2[c:12]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:13][cH:14][c:15]([N:30]3[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]3)[cH:16]2)[cH:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-4533990a662e4e47ade70b98ddaaa93a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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