HRID2339199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID75057

N,N,N-Trihexyl-1-hexanaminium

C24H52N+

HCID77468

2,3,4-Trifluoroaniline

C6H4F3N

HCID11807357

Propanoic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-, methyl ester

C11H14O5S

PRODUCTS

生成物

HCID22015876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0aa8befe80cf48c7a303782db46f417c
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

[C:11](=[O:12])([O-:13])[O-:14].[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[CH3:17][c:18]1[cH:19][cH:20][c:21]([S:22]([O:23][CH:28]([C:29](=[O:30])[O:31][CH3:32])[CH3:33])(=[O:24])=[O:25])[cH:26][cH:27]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl-:41].[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([F:10])[c:8]1[F:9].[K+:15].[K+:16]>>[F:1][c:2]1[c:3]([NH:4][CH:28]([C:29](=[O:30])[O:31][CH3:32])[CH3:33])[cH:5][cH:6][c:7]([F:10])[c:8]1[F:9]