HRID1121039

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

HCID79066

3-Methyluracil

C5H6N2O2

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

HCID24986897

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)ccn(-c2ccc(-n3cnc(CNC(=O)c4ccc(Cl)s4)c3)cc2)c1=O

HCID24760161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dde0b6c65e744643a6df6245dde89ec3
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

[CH3:23][n:24]1[c:25](=[O:31])[nH:26][cH:27][cH:28][c:29]1=[O:30].[CH3:49][S:50]([CH3:51])=[O:52].[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:53][I:54].[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>>[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:26]4[c:25](=[O:31])[n:24]([CH3:23])[c:29](=[O:30])[cH:28][cH:27]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1