Dichloromethane → 7-Chloro-4-[4-(4-fluorophenylaminocarbonyl)-2-methylpiperazin-1-yl]quinoline

HRID 1542613Notes

Reaction equation

HRID 1542613 reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[N:8]1[CH2:9][CH:10]([CH3:25])[N:11]([c:14]2[cH:15][cH:16][n:17][c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)[CH3:7].[Cl:43][CH2:44][Cl:45].[F:26][C:27]([F:28])([F:29])[C:30]([OH:31])=[O:32].[F:33][c:34]1[cH:35][cH:36][c:37]([N:40]=[C:41]=[O:42])[cH:38][cH:39]1>>[O:5]=[C:6]([N:8]1[CH2:9][CH:10]([CH3:25])[N:11]([c:14]2[cH:15][cH:16][n:17][c:18]3[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]23)[CH2:12][CH2:13]1)[NH:40][c:37]1[cH:36][cH:35][c:34]([F:33])[cH:39][cH:38]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 709554-Fluorophenyl isocyanateHCID 211017004-[4-(tert-Butoxycarbonyl)-2-methylpiperazin-1-yl]-7-chloroquinoline

Product 1

HCID 211017717-Chloro-4-[4-(4-fluorophenylaminocarbonyl)-2-methylpiperazin-1-yl]quinoline

Sources & evidence

ORD record
ord-1b250429a2ba4283893ec8836090e9c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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