HRID1135641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID2758305

Phosphonic acid, (difluoromethyl)-, diethyl ester

C5H11F2O3P

HCID5062348

未命名化合物

HCID57809896

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(F)(F)C(O)CC(C)(C)c1cc(F)ccc1OC

HCID57809776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0b4d7f271134310a5cba128939d08aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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