HRID169438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66279

1-Propanesulfonyl chloride

C3H7ClO2S

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ncnc1OCCN

HCID18184232

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)NCCOc1ncnc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC

HCID18184215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9a0b194da2f42b89ab5b1e8bdd29bdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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