HRID1137593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2757234

未命名化合物

HCID14580058

4-Bromo-5-isoquinolinesulfonyl chloride

C9H5BrClNO2S

HCID22121908

4-Chloroisoquinoline-5-sulfonyl chloride

C9H5Cl2NO2S

HCID43523185

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)CC1

HCID67244329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0eb480cb6b204771892c55e076d0970d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:32][c:33]1[c:34]2[c:35]([S:36]([Cl:37])(=[O:38])=[O:39])[cH:40][cH:41][cH:42][c:43]2[cH:44][n:45][cH:46]1.[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][CH:24]([CH3:25])[CH:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[C:47]([O:48][C:49]([NH:50][CH:51]1[CH2:52][CH2:53][NH:54][CH2:55]1)=[O:56])([CH3:57])([CH3:58])[CH3:59].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[Cl:15])[c:11]12>>[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[N:29]3[CH2:28][CH2:27][CH:26]([CH:24]([NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH3:25])[CH2:31][CH2:30]3)[c:11]12