HRID1565831

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID2734766

4-Bromo-2-chlorobenzenesulfonyl chloride

C6H3BrCl2O2S

结构：COc1ccc(N2CC(C)N(C(=O)OC(C)(C)C)C(C)C2)nc1N

HCID178491954

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CC(C)N(C(=O)OC(C)(C)C)C(C)C2)nc1NS(=O)(=O)c1ccc(Br)cc1Cl

HCID178491955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ecad7d6e336490883da09a355c8102a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:31][c:32]1[cH:33][c:34]([Cl:42])[c:35]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:36][cH:37]1.[Cl:43][CH2:44][Cl:45].[NH2:1][c:2]1[c:3]([O:23][CH3:24])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([CH3:22])[N:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH:12]([CH3:14])[CH2:13]2)[n:7]1.[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[NH:1]([c:2]1[c:3]([O:23][CH3:24])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([CH3:22])[N:11]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH:12]([CH3:14])[CH2:13]2)[n:7]1)[S:38]([c:35]1[c:34]([Cl:42])[cH:33][c:32]([Br:31])[cH:37][cH:36]1)(=[O:39])=[O:40]