HRID2153680

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

HCID86616333

未命名化合物

HCID178523075

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cn(-c2ccc(-n3ccccc3=S)cc2)cn1)c1ccc(Cl)s1

HCID24760755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12ba0baf2e364f9bbe26a4f08a312478
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

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