HRID1225809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59673998

未命名化合物

HCID72481696

2-[(2-Chloro-5-thiophen-3-ylpyrimidin-4-yl)amino]-4-methylpentan-1-ol

C14H18ClN3OS

PRODUCTS

生成物

结构：CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(-c3ccsc3)c(NC(CO)CC(C)C)n2)cc1

HCID178473598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6d394c814c34d78880816152ff84290
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[n:3][cH:4][c:5](-[c:16]2[cH:17][s:18][cH:19][cH:20]2)[c:6]([NH:8][CH:9]([CH2:10][OH:11])[CH2:12][CH:13]([CH3:14])[CH3:15])[n:7]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]([S:28](=[O:29])(=[N:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][CH3:37])[cH:26][cH:27]1>>[c:2]1([NH:21][c:22]2[cH:23][cH:24][c:25]([S:28](=[O:29])(=[N:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:36][CH3:37])[cH:26][cH:27]2)[n:3][cH:4][c:5](-[c:16]2[cH:17][s:18][cH:19][cH:20]2)[c:6]([NH:8][CH:9]([CH2:10][OH:11])[CH2:12][CH:13]([CH3:14])[CH3:15])[n:7]1