HRID2350467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID67900

Methanesulfenyl chloride, trifluoro-

CClF3S

HCID54422544

4-(Dimethylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one

C13H14F3NO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CN(C)C=C(C(=O)CSC(F)(F)F)c1cccc(C(F)(F)F)c1

HCID54429911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5057c4fbafc04a15bf6334837fd72077
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

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