HRID2323026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID2795172

1-benzofuran-2-sulfonyl chloride

C8H5ClO3S

结构：CC(C)(C)OC(=O)Nc1nnc(CSc2ccc(Cl)cc2N)[nH]1

HCID178453006

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1nnc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)[nH]1

HCID178453007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0dec9eb92d94b73a3938f636331c385
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

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