HRID1125083

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

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

HCID24986897

未命名化合物

HCID178474340

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccn(-c2ccc(-n3cnc(CNC(=O)c4ccc(Cl)s4)c3)cc2)c(=O)n1

HCID24760162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9319df820ca45e8a9f0d853852c109a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:23]([CH3:24])(=[O:25])[NH:26][c:27]1[n:28][c:29](=[O:33])[nH:30][cH:31][cH:32]1.[CH3:51][S:52]([CH3:53])=[O:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][cH:13][n:14](-[c:16]3[cH:17][cH:18][c:19]([I:22])[cH:20][cH:21]3)[cH:15]2)[s:6]1.[Cu:55][I:56].[K+:45].[K+:46].[O-:47][C:48]([O-:49])=[O:50].[OH:34][c:35]1[cH:36][cH:37][cH:38][c:39]2[c:40]1[n:41][cH:42][cH:43][cH:44]2>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[n:12][cH:13][n:14](-[c:16]3[cH:17][cH:18][c:19](-[n:30]4[c:29](=[O:33])[n:28][c:27]([NH:26][C:23]([CH3:24])=[O:25])[cH:32][cH:31]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1