HRID295588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：Cc1cc2ccccc2c(Oc2ccc(C=O)cc2)c1-c1ccccc1

HCID86087160

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(Oc2c(-c3ccccc3)c(C)cc3ccccc23)cc1

HCID90970239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74c541f1d25d487387a54bbceb1f17c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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