HRID1553392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8076

2-Ethoxyethanol

C4H10O2

HCID93898

4-Chloro-2-fluoroaniline

C6H5ClFN

HCID11220637

4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

C14H12Cl2N2O2

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(Cl)cc3F)c(C#N)cnc2cc1OCCCCl

HCID10202274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c044ff6ca29b4762b663b6a99451467e
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

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