HRID104016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID1923

8-Hydroxyquinoline

C9H7NO

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID86616335

未命名化合物

HCID178523075

未命名化合物

PRODUCTS

生成物

结构：N#CN=c1ccccn1-c1ccc(-n2cnc(CNC(=O)c3ccc(Cl)s3)c2)cc1

HCID24760375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0a2a0ae7a794e1492382d7327530eff
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

[CH3:49][S:50]([CH3:51])=[O:52].[Cl:17][c:18]1[cH:19][cH:20][c:21]([C:23](=[O:24])[NH:25][CH2:26][c:27]2[n:28][cH:29][nH:30][cH:31]2)[s:22]1.[Cu:53][I:54].[I:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](=[N:14][C:15]#[N:16])[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[OH:32][c:33]1[cH:34][cH:35][cH:36][c:37]2[c:38]1[n:39][cH:40][cH:41][cH:42]2>>[c:2]1(-[n:30]2[cH:29][n:28][c:27]([CH2:26][NH:25][C:23]([c:21]3[cH:20][cH:19][c:18]([Cl:17])[s:22]3)=[O:24])[cH:31]2)[cH:3][cH:4][c:5](-[n:8]2[c:9](=[N:14][C:15]#[N:16])[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1