HRID302737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID31275

1,4-Dioxane

C4H8O2

HCID2774545

4-Fluoro-2-methoxybenzoic acid

C8H7FO3

结构：Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1

HCID67133713

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)ccc1C(=O)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1

HCID46917820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff23bfc50f1f4e7b99676de6089cecf9
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

[C:36](=[O:37])([O-:38])[O-:39].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[Cl:42][CH2:43][Cl:44].[F:13][C:14]([c:15]1[cH:16][c:17]([S:21](=[O:22])(=[O:23])[CH2:24][CH2:25][S:26][c:27]2[n:28][cH:29][cH:30][cH:31][c:32]2[NH2:33])[cH:18][cH:19][cH:20]1)([F:34])[F:35].[F:1][c:2]1[cH:3][c:4]([O:11][CH3:12])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Na+:40].[Na+:41].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[S:51]([Cl:52])([Cl:53])=[O:54]>>[F:1][c:2]1[cH:3][c:4]([O:11][CH3:12])[c:5]([C:6](=[O:8])[NH:33][c:32]2[c:27]([S:26][CH2:25][CH2:24][S:21]([c:17]3[cH:16][c:15]([C:14]([F:13])([F:34])[F:35])[cH:20][cH:19][cH:18]3)(=[O:22])=[O:23])[n:28][cH:29][cH:30][cH:31]2)[cH:9][cH:10]1