HRID2149424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：CCc1cc2cc(OC)ccc2c(Oc2ccc(C=O)cc2)c1-c1ccccc1

HCID86087109

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(Oc2c(-c3ccccc3)c(CC)cc3cc(OC)ccc23)cc1

HCID91597323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75fbf472d92b4c55b74fc9aa65d483ad
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

[CH2:20]([CH3:21])[c:22]1[c:23](-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:24]([O:34][c:35]2[cH:36][cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42]2)[c:25]2[cH:26][cH:27][c:28]([O:32][CH3:33])[cH:29][c:30]2[cH:31]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:15][CH2:16][CH2:17][CH2:18][Li:19].[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][P:7]([O:8][CH2:9][CH3:10])([O:11][CH2:12][CH3:13])=[O:14].[OH2:49]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]=[CH:39][c:38]1[cH:37][cH:36][c:35]([O:34][c:24]2[c:23](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:22]([CH2:20][CH3:21])[cH:31][c:30]3[c:25]2[cH:26][cH:27][c:28]([O:32][CH3:33])[cH:29]3)[cH:42][cH:41]1