1,2-Dichloroethane → 2-Methyl-5-(4-{[3-(1H-pyrazol-1-yl)phenyl]acetyl}-1-piperazinyl)quinoline

HRID 1552108Notes

Reaction equation

HRID 1552108 reaction equation
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:16][c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][c:23]([N:27]3[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][c:35]4[cH:36][c:37]([NH2:41])[cH:38][cH:39][cH:40]4)[CH2:31][CH2:32]3)[c:24]2[cH:25][cH:26]1.[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:5].[OH:6][n:7]1[c:8]2[c:9]([cH:10][cH:11][cH:12][cH:13]2)[n:14][n:15]1.[n:42]1(-[c:47]2[cH:48][c:49]([CH2:53][C:54](=[O:55])[OH:56])[cH:50][cH:51][cH:52]2)[n:43][cH:44][cH:45][cH:46]1>>[CH3:16][c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][c:23]([N:27]3[CH2:28][CH2:29][N:30]([C:54]([CH2:53][c:49]4[cH:48][c:47](-[n:42]5[n:43][cH:44][cH:45][cH:46]5)[cH:52][cH:51][cH:50]4)=[O:56])[CH2:31][CH2:32]3)[c:24]2[cH:25][cH:26]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 21062671[3-(1H-Pyrazol-1-yl)phenyl]acetic acidHCID 498521053-(2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}aniline

Product 1

HCID 498512602-Methyl-5-(4-{[3-(1H-pyrazol-1-yl)phenyl]acetyl}-1-piperazinyl)quinoline

Sources & evidence

ORD record
ord-2035588abe264fc3a89dd23d9f8e9130
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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