HRID1548570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID256687

Methyl 4-(bromomethyl)benzoate

C9H9BrO2

结构：COc1ccc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)C)cc1

HCID10783604

N-[(4-Methoxyphenyl)sulfonyl]valine 1,1-dimethylethyl ester

C16H25NO5S

PRODUCTS

生成物

结构：COC(=O)c1ccc(CN(C(C(=O)OC(C)(C)C)C(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1

HCID69451351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dcadfcee4d94396868a6a287d1fa94f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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