HRID685655

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID136616

2-Trifluoromethylbenzenesulphonyl chloride

C7H4ClF3O2S

结构：CNCc1cc(C(F)(F)F)ccc1Oc1cccc(CC(=O)OC)c1

HCID58288517

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)cc2CN(C)S(=O)(=O)c2ccccc2C(F)(F)F)c1

HCID58288542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fe8576c73c14c459f0499fd6d5c5624
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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