HRID932576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

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

HCID21942573

Methyl 3-bromo-5-iodobenzoate

C8H6BrIO2

HCID67232090

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Br)cc(N2C(=O)C3(CC3c3ccc(Cl)cc3)c3ccccc32)c1

HCID76754475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c11df706ff848c5bec3577c66f5951a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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