HRID189192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID3164136

Pyridine-3-sulfonyl chloride

C5H4ClNO2S

HCID53900120

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CCCN(CCCc2cccc(Cl)c2)S(=O)(=O)c2cccnc2)s1

HCID53694758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bc1c88840034855bc305c47525c5825
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

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