HRID1233545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2775131

1-Ethynyl-4-pentylbenzene

C13H16

结构：CN(C)CC(CC(=O)OCc1ccccc1)NS(=O)(=O)c1ccc(Br)s1

HCID178483481

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(C#Cc2ccc(S(=O)(=O)NC(CC(=O)OCc3ccccc3)CN(C)C)s2)cc1

HCID178442117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-308a2955d9a94ea18c380d66938c4081
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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