HRID803879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

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

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

结构：CC(=O)OC1CSC(Oc2cncc(Br)c2)C(OC(C)=O)C1OC(C)=O

HCID178475725

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CSC(Oc2cncc(I)c2)C(OC(C)=O)C1OC(C)=O

HCID178475743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4cd678e789e494e8aef213829daf4c6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][n:10][cH:11][c:12]([Br:14])[cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22].[CH3:35][NH:36][CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH:42]1[NH:43][CH3:44].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cu:45][I:46].[I-:34].[Na+:33].[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[OH2:53]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][n:10][cH:11][c:12]([I:34])[cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22]