Acetic Acid → 4-(2,4-Dichloro-5-methoxyanilino)-7-[4-(diethylaminomethyl)phenyl]quinoline-3-carbonitrile
Reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH2:1]([CH3:2])[NH:3][CH2:4][CH3:5].[CH2:55]([Cl:56])[Cl:57].[CH3:51][C:52](=[O:53])[OH:54].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:6][c:7]1[c:8]([NH:9][c:10]2[c:11]([C:28]#[N:29])[cH:12][n:13][c:14]3[cH:15][c:16](-[c:20]4[cH:21][cH:22][c:23]([CH:26]=[O:27])[cH:24][cH:25]4)[cH:17][cH:18][c:19]23)[cH:30][c:31]([O:35][CH3:36])[c:32]([Cl:34])[cH:33]1.[Na+:50]>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH3:5])[CH2:26][c:23]1[cH:22][cH:21][c:20](-[c:16]2[cH:15][c:14]3[n:13][cH:12][c:11]([C:28]#[N:29])[c:10]([NH:9][c:8]4[c:7]([Cl:6])[cH:33][c:32]([Cl:34])[c:31]([O:35][CH3:36])[cH:30]4)[c:19]3[cH:18][cH:17]2)[cH:25][cH:24]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cf7552d3d0c341959031e48361479888
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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