HRID95243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(c1ccc(O)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

HCID57421299

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(OS(=O)(=O)c2ccccc2)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F

HCID57449969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e250b6fe9bf740e1b4f13c5c57772cf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH3:44][N:45]([CH3:46])[C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4]([OH:26])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[cH:15][n:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23]1)[OH:24])[CH3:25].[Cs+:31].[Cs+:32].[OH2:43].[c:33]1([S:39](=[O:40])(=[O:41])[Cl:42])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[Cl:1][c:2]1[cH:3][c:4]([O:26][S:39]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)(=[O:40])=[O:41])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[cH:15][n:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[cH:23]1)[OH:24])[CH3:25]