HRID143965

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

HCID66974172

未命名化合物

HCID178523075

未命名化合物

PRODUCTS

生成物

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

HCID24760376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40e5fe717c2e474daa6ab5e1be7929f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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