HRID1222477

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(C(C)(C)C)cc2)c1

HCID54364343

未命名化合物

PRODUCTS

生成物

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

HCID53733186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66b455a698f54f2793c0940d9f5e1b9f
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]([CH3:22])([CH3:23])[CH3:24])[cH:19][cH:20]2)[cH:9][cH:10][cH:11]1)=[O:25].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[ClH:26].[n:27]1[c:28]([S:33](=[O:34])(=[O:35])[Cl:36])[cH:29][cH:30][cH:31][cH:32]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]([CH3:22])([CH3:23])[CH3:24])[cH:19][cH:20]2)[S:33]([c:28]2[n:27][cH:32][cH:31][cH:30][cH:29]2)(=[O:34])=[O:35])[cH:9][cH:10][cH:11]1)=[O:25]