HRID2146911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6586

Methyl chlorocarbonate

C2H3ClO2

结构：CCOC(=O)C#Cc1ccc2c(c1)C(C)(C)CCC2(C)C

HCID11000580

未命名化合物

HCID11806387

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)C#Cc1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID18357952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df5243c74efe483a8d85c450433841d5
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

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