HRID1549445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID723429

tert-Butyl [(piperidin-4-yl)methyl]carbamate

C11H22N2O2

HCID2757234

未命名化合物

HCID14580058

4-Bromo-5-isoquinolinesulfonyl chloride

C9H5BrClNO2S

HCID22121908

4-Chloroisoquinoline-5-sulfonyl chloride

C9H5Cl2NO2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)CC1

HCID67243979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-201d52c3cb564fc2adbc60d4e97ce661
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[c:33]2[c:34]([S:35]([Cl:36])(=[O:37])=[O:38])[cH:39][cH:40][cH:41][c:42]2[cH:43][n:44][cH:45]1.[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[NH:23][CH2:24][CH:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[C:46]([O:47][C:48]([NH:49][CH:50]1[CH2:51][CH2:52][NH:53][CH2:54]1)=[O:55])([CH3:56])([CH3:57])[CH3:58].[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:28]3[CH2:27][CH2:26][CH:25]([CH2:24][NH:23][C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:30][CH2:29]3)[c:11]12