Acetonitrile → 7-(3,5-dimethyl-4-isoxazolyl)-6-(methyloxy)-3-nitro-N-(2-pyridinylmethyl)-4-quinolinamine
Reaction equation
[CH3:32][C:33]#[N:34].[Cl:1][c:2]1[c:3]([N+:21](=[O:22])[O-:23])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[NH2:24][CH2:25][c:26]1[n:27][cH:28][cH:29][cH:30][cH:31]1>>[c:2]1([NH:24][CH2:25][c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[c:3]([N+:21](=[O:22])[O-:23])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
4
Sources & evidence
- ORD record
- ord-50403ae2bb6d47e38ac4febeae2c7e26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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