HRID193505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7912

Diisopropylamine

C6H15N

HCID11789501

4-Ethynylphenyl acetate

C10H8O2

结构：CCOC(=O)CCCc1c(C)n(CCCC(=O)OCC)c2c(Br)cccc12

HCID66739194

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCc1c(C)n(CCCC(=O)OCC)c2c(C#Cc3ccc(OC(C)=O)cc3)cccc12

HCID66739019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dadd59da7fa414e89f424567fc52df7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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