HRID685565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID741351

未命名化合物

HCID2736380

ethyl 4-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylate

C11H12ClN3O2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc2c(c(C)nn2C)c1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1

HCID22322112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-282b6887ec0b440d9c84b9baf7d73704
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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