Hexane → 4-(3-chloro-4-fluoro-phenylamino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile
Reaction equation
[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Cl:1][c:2]1[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]12.[Cl:20][c:21]1[cH:22][c:23]([NH2:24])[cH:25][cH:26][c:27]1[F:28]>>[c:2]1([NH:24][c:23]2[cH:22][c:21]([Cl:20])[c:27]([F:28])[cH:26][cH:25]2)[c:3]([C:18]#[N:19])[cH:4][n:5][c:6]2[cH:7][c:8]([O:15][CH2:16][CH3:17])[c:9]([N+:12](=[O:13])[O-:14])[cH:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-03ead0e3c4c849c89e54f21090016c55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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