HRID1209930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID3787675

Pyridine-2-sulfonyl Chloride

C5H4ClNO2S

结构：COC(=O)CCc1cccc(CNCc2ccc(-c3ncccn3)cc2)c1

HCID53635220

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1

HCID53941942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41d5ff99aecc4c10b388b77e9b10a690
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

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