HRID1559585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID75040

Methanone, [1,1'-biphenyl]-4-ylphenyl-

C19H14O

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CCOC(=O)C=C(c1ccccc1)c1ccc(-c2ccccc2)cc1

HCID69465242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9113c60e5f548d99f869c1d3bbd66cc
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

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