HRID102665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID9877801

Ethyl 7-aminoquinoline-3-carboxylate

C12H12N2O2

HCID22736909

2-[5-(Trifluoromethyl)pyridin-2-yl]benzoic acid

C13H8F3NO2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cn3)ccc2c1

HCID69891345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feacc82090174e7e8f23134f3db5c1e8
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

[CH2:20]([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]