HRID209207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1

HCID81042

2,4,6-Triisopropylbenzenesulfonyl chloride

C15H23ClO2S

HCID54561326

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)C=CC#N)cc2)c(C(C)C)c1

HCID54159099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcf7216659ac4cdaba52344e71024b3b
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

[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([S:16](=[O:17])(=[O:18])[Cl:19])[c:6]([CH:13]([CH3:14])[CH3:15])[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH:30]=[CH:31][C:32]#[N:33])[cH:25][cH:26]1.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([S:16](=[O:17])(=[O:18])[NH:20][c:21]2[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH:30]=[CH:31][C:32]#[N:33])[cH:25][cH:26]2)[c:6]([CH:13]([CH3:14])[CH3:15])[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1