HRID125774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8076

2-Ethoxyethanol

C4H10O2

HCID158654

Phenol, 5-amino-2-chloro-4-fluoro-

C6H5ClFNO

HCID4585885

Methylcarbonate

C2H3O3-

HCID11109252

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

C13H10Cl2N2O2

PRODUCTS

生成物

结构：COc1cc2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc2cc1OCCCl

HCID22466748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25b8f32b6c2343b59484ac87255c7b57
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

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