HRID1541525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID22669491

未命名化合物

HCID22669614

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(C=O)cc3C(F)(F)F)cc12

HCID22669805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5c0e384928e4b73b09fb7d0cbb41b83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:14](=[O:15])([O-:16])[O-:17].[CH3:39][S:40]([CH3:41])=[O:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl-:37].[F:20][C:21]([c:22]1[cH:23][c:24]([CH:25]=[O:26])[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[c:29]1[Cl:30])([F:35])[F:36].[K+:18].[K+:19].[NH4+:38].[OH:1][c:2]1[cH:3][c:4]2[c:5]([CH:11]([CH3:12])[CH3:13])[cH:6][nH:7][c:8]2[cH:9][cH:10]1>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([CH:11]([CH3:12])[CH3:13])[cH:6][nH:7][c:8]2[cH:9][cH:10]1)[c:29]1[c:22]([C:21]([F:20])([F:35])[F:36])[cH:23][c:24]([CH:25]=[O:26])[cH:27][c:28]1[C:31]([F:32])([F:33])[F:34]