HRID1129800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID2736887

1-methyl-1H-imidazole-4-sulfonyl chloride

C4H5ClN2O2S

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(N)ccc3OCC)nn12

HCID136336326

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(CC)Cc1nc(C)c2c(=O)[nH]c(-c3cc(NS(=O)(=O)c4cn(C)cn4)ccc3OCC)nn12

HCID136424193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a93e6050315e406db9839d1feba469f9
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

[CH3:31][n:32]1[cH:33][n:34][c:35]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:36]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:28][CH2:29][CH3:30])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:27])[n:16][c:17]3[CH2:18][CH:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH3:26])[cH:7]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:28][CH2:29][CH3:30])[c:6](-[c:8]2[n:9][n:10]3[c:11]([c:12](=[O:14])[nH:13]2)[c:15]([CH3:27])[n:16][c:17]3[CH2:18][CH:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH3:26])[cH:7]1)[S:37]([c:35]1[n:34][cH:33][n:32]([CH3:31])[cH:36]1)(=[O:38])=[O:39]