HRID2134973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID291192

Trimethyl ethane-1,1,2-tricarboxylate

C8H12O6

结构：COC(=O)C(CCBr)C(C#N)(C(=O)OC)C(C)c1ccccc1

HCID13292496

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(CCC(C(=O)OC)C(C#N)(C(=O)OC)C(C)c1ccccc1)(C(=O)OC)C(=O)OC

HCID13292497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b53f6e30c46345efab03d5dd29805336
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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