HRID933717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8076

2-Ethoxyethanol

C4H10O2

HCID8764

Benzenamine, 4-phenoxy-

C12H11NO

HCID11109252

4-Chloro-7-(2-chloroethoxy)-6-methoxy-3-quinolinecarbonitrile

C13H10Cl2N2O2

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCl

HCID68463166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39bffd76258343549e60b8ec0f46c0da
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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