HRID139863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1cc(-c2nn(CCO)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID22346971

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2nn(CCOS(C)(=O)=O)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID22346831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-038ac434a89849ddbee193d5605faf92
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

[CH3:41][S:42]([Cl:43])(=[O:44])=[O:45].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:32][CH2:33][OH:34])[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:29])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:15][cH:16]1.[OH2:46].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:32][CH2:33][O:34][S:42]([CH3:41])(=[O:44])=[O:45])[n:9][c:10]2-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]2[n:21]([CH3:29])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[cH:28]2)[cH:15][cH:16]1