HRID2327060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID3371655

Isoquinoline-5-sulfonyl Chloride

C9H6ClNO2S

HCID57749413

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cn2nc(-c3cccc(NS(=O)(=O)c4cccc5cnccc45)c3)ccc2n1

HCID44124634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c447bf77a35d42e6b2e83f61577def74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[ClH:27].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[cH:14][c:15]([NH:17][C:18]([CH3:19])=[O:20])[n:16]3)[cH:5][cH:6][cH:7]1.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1.[cH:28]1[n:29][cH:30][cH:31][c:32]2[c:33]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:34][cH:35][cH:36][c:37]12>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[cH:14][c:15]([NH:17][C:18]([CH3:19])=[O:20])[n:16]3)[cH:5][cH:6][cH:7]1)[S:38]([c:33]1[c:32]2[cH:31][cH:30][n:29][cH:28][c:37]2[cH:36][cH:35][cH:34]1)(=[O:39])=[O:40]