HRID2315561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

结构：C=CC(C)(C)OC(=O)C#CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C

HCID178447145

未命名化合物

PRODUCTS

生成物

HCID178447146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62b15dc4db4b4e3f9de57a6df1123128
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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