Acetone → 4-(3-Chloro-4-fluoroanilino)-7-(4-methyl-1-piperazinyl)-6-nitro-3-quinolinecarbonitrile
Reaction equation
[CH3:26][N:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][C:41](=[O:42])[CH3:43].[Cl:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[c:7]([C:20]#[N:21])[cH:8][n:9][c:10]3[cH:11][c:12]([Cl:19])[c:13]([N+:16](=[O:17])[O-:18])[cH:14][c:15]23)[cH:22][cH:23][c:24]1[F:25]>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[c:7]([C:20]#[N:21])[cH:8][n:9][c:10]3[cH:11][c:12]([N:30]4[CH2:29][CH2:28][N:27]([CH3:26])[CH2:32][CH2:31]4)[c:13]([N+:16](=[O:17])[O-:18])[cH:14][c:15]23)[cH:22][cH:23][c:24]1[F:25]Participants
5
Sources & evidence
- ORD record
- ord-336e29e8a35c44b9ba4e62585e12bcf7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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