HRID166805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

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

HCID73949

2-Oxazolidinone

C3H5NO2

结构：Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3S(C)(=O)=O)CC2=O)c(C)c1

HCID67381202

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCN(C(=O)c3ccc(N4CCOC4=O)cc3S(C)(=O)=O)CC2=O)c(C)c1

HCID58484832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fafbbc535c544176a09188fabe2fd3f3
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

[Br:1][c:2]1[cH:3][c:4]([S:25](=[O:26])(=[O:27])[CH3:28])[c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10](=[O:22])[N:11]([c:14]3[c:15]([CH3:21])[cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[CH2:12][CH2:13]2)[cH:23][cH:24]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][NH:42][CH2:43][CH2:44][NH:45][CH3:46].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cu:47][I:48].[K+:39].[K+:40].[O:29]1[C:30](=[O:34])[NH:31][CH2:32][CH2:33]1.[OH2:49]>>[c:2]1([N:31]2[C:30](=[O:34])[O:29][CH2:33][CH2:32]2)[cH:3][c:4]([S:25](=[O:26])(=[O:27])[CH3:28])[c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10](=[O:22])[N:11]([c:14]3[c:15]([CH3:21])[cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[CH2:12][CH2:13]2)[cH:23][cH:24]1