1,2-Dichloroethane → 7-[2-(5-Trifluoromethyl-pyridin-2-yl)-benzoylamino]-quinoline-3-carboxylic acid ethyl ester

HRID 102665

Reaction equation

HRID 102665 reaction equation
[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[c:25]1[cH:26][n:27][c:28]2[cH:29][c:30]([NH2:35])[cH:31][cH:32][c:33]2[cH:34]1.[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:49][CH2:50][CH2:51][Cl:52].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15][cH:16][cH:17]2)[n:7][cH:8]1)([F:18])[F:19].[S:45]([Cl:46])([Cl:47])=[O:48]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:11](=[O:13])[NH:35][c:30]3[cH:29][c:28]4[n:27][cH:26][c:25]([C:23]([O:22][CH2:20][CH3:21])=[O:24])[cH:34][c:33]4[cH:32][cH:31]3)[cH:14][cH:15][cH:16][cH:17]2)[n:7][cH:8]1)([F:18])[F:19]

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 9877801Ethyl 7-aminoquinoline-3-carboxylateHCID 227369092-(5-(Trifluoromethyl)pyridin-2-yl)benzoic acid

Product 1

HCID 698913457-[2-(5-Trifluoromethyl-pyridin-2-yl)-benzoylamino]-quinoline-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-feacc82090174e7e8f23134f3db5c1e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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