HRID1207192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID49850068

Methyl 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate

C11H9Cl2N3O2

HCID58320694

未命名化合物

结构：COC(=O)c1cc(COS(C)(=O)=O)nn1-c1ncccc1Cl

HCID58320697

未命名化合物

PRODUCTS

生成物

HCID54577408

Methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate

C11H12ClN3O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c28e74539924fff81eaab9ed9a06a34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([N:8]2[N:9]=[C:10]([CH2:19][OH:20])[CH2:11][C:12]2([C:13](=[O:14])[O:15][CH2:16][CH3:17])[OH:18])[n:4][cH:5][cH:6][cH:7]1.[Cl:21][c:22]1[c:23](-[n:24]2[c:25]([C:26]([O:27][CH3:28])=[O:29])[cH:30][c:31]([CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[n:38]2)[n:39][cH:40][cH:41][cH:42]1.[Cl:43][CH2:44][c:45]1[cH:46][c:47]([C:48]([O:49][CH3:50])=[O:51])[n:52](-[c:53]2[c:54]([Cl:55])[cH:56][cH:57][cH:58][n:59]2)[n:60]1>>[Cl:1][c:2]1[c:3]([N:8]2[N:9]=[C:10]([CH2:19][OH:20])[CH2:11][C:12]2([C:13](=[O:14])[O:15][CH3:16])[OH:18])[n:4][cH:5][cH:6][cH:7]1