HRID672237

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID19660

Carbonate

CO3-2

HCID6453329

2(3H)-Benzothiazolone, 6-amino-

C7H6N2OS

HCID10129898

未命名化合物

HCID10586676

4-chloro-6,7-dimethoxy-quinoline-3-carbonitrile

C12H9ClN2O2

PRODUCTS

生成物

结构：COc1cc2ncc(C#N)c(Nc3ccc4[nH]c(=O)sc4c3)c2cc1OC

HCID10134247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41341ed82dcf422da95cca258d241d26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:36]([O:37][CH:38]([OH:39])[CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:29].[ClH:48].[NH2:18][c:19]1[cH:20][c:21]2[c:22]([nH:23][c:24](=[O:26])[s:25]2)[cH:27][cH:28]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:49].[n:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[c:2]1([NH:18][c:19]2[cH:20][c:21]3[c:22]([nH:23][c:24](=[O:26])[s:25]3)[cH:27][cH:28]2)[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12