HRID160157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID108812

1-Ethyl-2,3-dioxopiperazine

C6H10N2O2

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：CCN1CCN(c2ccc(-n3cnc(CNC(=O)c4ccc(Cl)s4)c3)cc2)C(=O)C1=O

HCID24760231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c14ab22b5b5741ed9b97d9ae6ce9f56e
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

[CH2:23]([CH3:24])[N:25]1[C:26](=[O:32])[C:27](=[O:31])[NH:28][CH2:29][CH2:30]1.[CH3:33][NH:34][CH2:35][CH2:36][NH:37][CH3:38].[CH3:45][S:46]([CH3:47])=[O:48].[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+:39].[K+:40].[O-:41][C:42]([O-:43])=[O:44].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[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:28]4[C:27](=[O:31])[C:26](=[O:32])[N:25]([CH2:23][CH3:24])[CH2:30][CH2:29]4)[cH:20][cH:21]3)[cH:15]2)[s:6]1