HRID1535866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID9877801

Ethyl 7-aminoquinoline-3-carboxylate

C12H12N2O2

HCID22262719

2-[4-(Trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C13H8F3NO2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2c1

HCID69891546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6226f7ebd5084ad5b21564d58e0f05e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:26]([CH3:27])[O:28][C:29](=[O:30])[c:31]1[cH:32][n:33][c:34]2[cH:35][c:36]([NH2:41])[cH:37][cH:38][c:39]2[cH:40]1.[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:48][CH2:49][Cl:50].[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][n:17]2)[cH:7][cH:8]1)([F:18])[F:19].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:11](=[O:13])[NH:41][c:36]3[cH:35][c:34]4[n:33][cH:32][c:31]([C:29]([O:28][CH2:26][CH3:27])=[O:30])[cH:40][c:39]4[cH:38][cH:37]3)[cH:14][cH:15][cH:16][n:17]2)[cH:7][cH:8]1)([F:18])[F:19]