HRID1540158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(O)c2)n1

HCID67230344

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2cccc(OCC(=O)OC(C)(C)C)c2)n1

HCID67231689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4030e6d2db4c4da0801a8aa63ccb30bb
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:1][CH2:2][C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[C:35](=[O:36])([O-:37])[O-:38].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]2[n:21][n:22]([CH3:25])[cH:23][cH:24]2)[c:26]2[cH:27][c:28]([OH:32])[cH:29][cH:30][cH:31]2)[cH:33][cH:34]1.[Cs+:39].[Cs+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH2:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[O:32][c:28]1[cH:27][c:26]([N:16]([CH2:15][c:14]2[cH:13][cH:12][c:11]([Cl:10])[cH:34][cH:33]2)[S:17](=[O:18])(=[O:19])[c:20]2[n:21][n:22]([CH3:25])[cH:23][cH:24]2)[cH:31][cH:30][cH:29]1