HRID188798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31275

1,4-Dioxane

C4H8O2

结构：COCN(c1cc(Cl)cnc1C(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

HCID57942404

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(C#N)nc2)cc1

HCID57942318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-708f593558344761afcabcde3a7e894a
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

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