HRID666355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8070

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

C4H12N2

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)c1c(Cl)c2cc(Br)ccc2n1-c1ccc(OC(C)C)cc1

HCID68696654

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(Cl)c2cc(I)ccc2n1-c1ccc(OC(C)C)cc1

HCID68699771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cd570395b084cd9a07073614f611ad4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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