HRID306724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID53418035

4-Bromo-1-(methanesulfonyl)-2-(trifluoromethoxy)benzene

C8H6BrF3O3S

HCID67084599

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1OC(F)(F)F

HCID69061025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23b85707ecbb40a38e86ec80c804bea8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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