HRID1560311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID136751

3-(Trifluoromethyl)thiophenol

C7H5F3S

HCID58348207

未命名化合物

PRODUCTS

生成物

结构：CC(Sc1cccc(C(F)(F)F)c1)C1CN(C(=O)OC(C)(C)C)C1

HCID59447287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-505686bab3e64d689780acf86ffd5a61
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:27](=[O:28])([O-:29])[O-:30].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:22][S:23](=[O:24])(=[O:25])[Cl:26].[Cl:44][CH2:45][Cl:46].[F:33][C:34]([c:35]1[cH:36][c:37]([SH:41])[cH:38][cH:39][cH:40]1)([F:42])[F:43].[K+:31].[K+:32].[OH:1][CH:2]([CH3:3])[CH:4]1[CH2:5][N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]1>>[CH:2]([CH3:3])([CH:4]1[CH2:5][N:6]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:7]1)[S:41][c:37]1[cH:36][c:35]([C:34]([F:33])([F:42])[F:43])[cH:40][cH:39][cH:38]1