HRID297709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID961

Hydroxide

HO-

HCID2724995

未命名化合物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3O)cc1

HCID15391671

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC=C3)cc1

HCID18314555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7145c3fc19924a6198c6242d23fbe29a
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

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