Acetonitrile → 2-chloro-N4-{[3-(4-fluorophenyl)isoxazol-5-yl]methyl}quinoline-3,4-diamine
Reaction equation
[CH3:29][C:30]#[N:31].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:15][CH2:16][c:17]2[cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[n:20][o:21]2)[c:11]1[N+:12]([O-:13])=[O:14]>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([NH:15][CH2:16][c:17]2[cH:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[n:20][o:21]2)[c:11]1[NH2:12]Participants
3
Sources & evidence
- ORD record
- ord-24ac2c879a6a4a518ef5d54de9d1173e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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