HRID2324317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID137761

2-Fluorobenzenesulphonyl chloride

C6H4ClFO2S

反应SMILES：Cc1cc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc(N)n1

HCID68902711

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C(=O)c2cn(C(C)C)c3ncnc(N)c23)cc(NS(=O)(=O)c2ccccc2F)n1

HCID68906511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ef7ac2431f8243aeb2d9cca6227436b5
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

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