HRID93141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID2793626

5-bromo-6-chloropyridine-3-sulfonyl chloride

C5H2BrCl2NO2S

HCID59192558

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1cnc(Cl)c(Br)c1

HCID59192603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11f24283af94466bbe378673ed913bd1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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