HRID92508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID16259

3-Phenylpropylamine

C9H13N

HCID18372491

5-Chloro8-hydroxy-2-methyl-7-quinolinecarboxylic acid

C11H8ClNO3

HCID178418300

未命名化合物

PRODUCTS

产物

HCID18372644

5-chloro-8-hydroxy-2-methyl-N-(3-phenylpropyl)-7-quinolinecarboxamide

C20H19ClN2O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-93eaa8af912e49f8b8d66954f6eae683
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:27]([Cl:28])[CH2:29][Cl:30].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:16])[n:7][c:8]2[c:9]([OH:15])[c:10]([C:12](=[O:13])[OH:14])[cH:11]1.[Cl:55][CH2:56][Cl:57].[ClH:31].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:32].[OH:33][c:34]1[c:35]2[n:36][n:37][nH:38][c:39]2[cH:40][cH:41][cH:42]1.[c:17]1([CH2:23][CH2:24][CH2:25][NH2:26])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:16])[n:7][c:8]2[c:9]([OH:15])[c:10]([C:12](=[O:14])[NH:26][CH2:25][CH2:24][CH2:23][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:11]1