HRID180484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8019

2-Methoxyethanol

C3H8O2

HCID8058

n-Hexane

C6H14

HCID81423

6-Aminoindazole

C7H7N3

HCID11109252

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

C13H10Cl2N2O2

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc4cn[nH]c4c3)c(C#N)cnc2cc1OCCCl

HCID10294003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f271ca7c92a74db382dafa501187509d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:37](=[O:38])([OH:39])[O-:40].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][C:49]([CH3:50])=[O:51].[CH3:52][O:53][CH2:54][CH2:55][OH:56].[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.[ClH:30].[NH2:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][nH:27][c:28]2[cH:29]1.[Na+:41].[n:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]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:20][c:21]3[cH:22][cH:23][c:24]4[cH:25][n:26][nH:27][c:28]4[cH:29]3)[c:10]([C:15]#[N:16])[cH:11][n:12][c:13]2[cH:14]1