HRID2326311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID145751

Methyl oxirane-2-carboxylate

C4H6O3

结构：CS(=O)(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID59704780

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(O)CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O

HCID67572136

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23def128abc941239455b6086d71893f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:43]([N+:44]([CH2:45][CH3:46])([CH2:47][CH3:48])[CH2:49][CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH2:57]1[O:58][CH2:59][CH2:60][O:61][CH2:62]1.[CH3:29][O:30][C:31]([CH:32]1[CH2:33][O:34]1)=[O:35].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[Cl-:42].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:14][S:15](=[O:16])(=[O:17])[CH3:18])[cH:12][cH:13]2)[cH:19][cH:20]1)([F:21])[F:22].[K+:23].[K+:24].[O-:25][C:26]([O-:27])=[O:28].[OH2:41]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([N:14]([S:15](=[O:16])(=[O:17])[CH3:18])[CH2:33][CH:32]([C:31]([O:30][CH3:29])=[O:35])[OH:34])[cH:12][cH:13]2)[cH:19][cH:20]1)([F:21])[F:22]