HRID1238639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

5 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1099

Sulfite

O3S-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2737578

5-Fluoro-2-(trifluoromethyl)benzyl bromide

C8H5BrF4

HCID2777399

4-(Trifluoromethyl)benzenesulfonyl chloride

C7H4ClF3O2S

PRODUCTS

生成物

结构：O=S(=O)(Cc1cc(F)ccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1

HCID86658724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bde3d54816c4f7385e092a78adc14dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:42][CH2:43][OH:44].[F:15][C:16]([c:17]1[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[Cl:26])[cH:21][cH:22]1)([F:27])[F:28].[F:29][C:30]([c:31]1[c:32]([CH2:33][Br:34])[cH:35][c:36]([F:39])[cH:37][cH:38]1)([F:40])[F:41].[Na+:12].[Na+:13].[Na+:14].[Na+:5].[Na+:6].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH2:45].[P:7]([O-:8])([O-:9])([O-:10])=[O:11].[S:1]([O-:2])([O-:3])=[O:4]>>[F:15][C:16]([c:17]1[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH2:33][c:32]2[c:31]([C:30]([F:29])([F:40])[F:41])[cH:38][cH:37][c:36]([F:39])[cH:35]2)[cH:21][cH:22]1)([F:27])[F:28]