HRID1536934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12958

Dimethyl methylphosphonate

C3H9O3P

HCID11849913

Ethyl 3-[3-(trifluoromethyl)phenyl]propanoate

C12H13F3O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COP(=O)(CC(=O)CCc1cccc(C(F)(F)F)c1)OC

HCID20298567

Phosphonic acid, [2-oxo-4-[3-(trifluoromethyl)phenyl]butyl]-, dimethyl ester

C13H16F3O4P

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce12de1646e647e99a2474d465352238
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

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