HRID2137131

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

HCID11220637

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

C14H12Cl2N2O2

HCID11459088

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1OCCCCl

HCID68462341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77d39e59dbf04164aa0a0481fd284aa5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:43][CH2:44][O:45][CH2:46][CH2:47][OH:48].[Cl:1][c:2]1[c:3]([C:19]#[N:20])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][Cl:18])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[Cl:21][c:22]1[cH:23][c:24]([NH2:35])[cH:25][cH:26][c:27]1[S:28][c:29]1[n:30]([CH3:34])[cH:31][cH:32][n:33]1.[ClH:36].[n:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:2]1([NH:35][c:24]2[cH:23][c:22]([Cl:21])[c:27]([S:28][c:29]3[n:30]([CH3:34])[cH:31][cH:32][n:33]3)[cH:26][cH:25]2)[c:3]([C:19]#[N:20])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][Cl:18])[c:9]([O:12][CH3:13])[cH:10][c:11]12