HRID165691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13345

Triethyl phosphonoacetate

C8H17O5P

结构：CCCCc1cc2cc(OC)ccc2c(Oc2ccc(C=O)cc2)c1-c1ccccc1

HCID86087142

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCCc1cc2cc(OC)ccc2c(Oc2ccc(C=CC(=O)OCC)cc2)c1-c1ccccc1

HCID91512442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-024ff0954ca44ac7b2bb331bc72917ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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