HRID2127296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：O=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

HCID22960644

2-{[3,5-Bis(trifluoromethyl)phenyl]methoxy}-1-phenylethan-1-one

C17H12F6O2

PRODUCTS

生成物

结构：CCOC(=O)C=C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

HCID86624036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8a56d7bf9914b98905107f9fbdc8b2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH3:8].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[F:17][C:18]([c:19]1[cH:20][c:21]([CH2:22][O:23][CH2:24][C:25](=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[H-:15].[Na+:16].[OH2:42]>>[CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])=[C:25]([CH2:24][O:23][CH2:22][c:21]1[cH:20][c:19]([C:18]([F:17])([F:40])[F:41])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1