HRID1143656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：COc1ccc2c(Oc3ccc(C=O)cc3)c(-c3ccccc3)c(CC(C)C)cc2c1

HCID86616653

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

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

HCID91401564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-429f3c33d3c54532b0bbae7e68a0d012
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

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