HRID671789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID10434

1,3-Cyclohexanedione

C6H8O2

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

结构：CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1

HCID91760

Sulcotrione

C14H13ClO5S

HCID735863

2-Chloro-4-(methylsulfonyl)benzoic acid

C8H7ClO4S

PRODUCTS

生成物

HCID11128804

Benzoyl chloride, 2-chloro-4-(methylsulfonyl)-

C8H6Cl2O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c74166bbcc54965971f01c03c71fda5
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

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