HRID1553863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID406

未命名化合物

HCID3283

Diethyl Ether

C4H10O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID79000

Trifluoromethanesulphonyl chloride

CClF3O2S

HCID99240

Diethyl 4-chlorobenzylphosphonate

C11H16ClO3P

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID12881548

Diethyl [chloro(4-chlorophenyl)methyl]phosphonate

C11H15Cl2O3P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4641f2fe2c0a46589e87f20f76f0664d
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

[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:1][CH:2]([NH:3][CH:4]([CH3:5])[CH3:6])[CH3:7].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[Cl-:41].[Cl:13][c:14]1[cH:15][cH:16][c:17]([CH2:20][P:21]([O:22][CH2:23][CH3:24])([O:25][CH2:26][CH3:27])=[O:28])[cH:18][cH:19]1.[F:29][C:30]([F:31])([F:32])[S:33]([Cl:34])(=[O:35])=[O:36].[NH4+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[PH:37](=[O:38])([O-:39])[O-:40]>>[Cl:13][c:14]1[cH:15][cH:16][c:17]([CH:20]([P:21]([O:22][CH2:23][CH3:24])([O:25][CH2:26][CH3:27])=[O:28])[Cl:34])[cH:18][cH:19]1