HRID2133680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)C1CCC(c2ccc(N)c3c2CN(C)C3=O)CC1

HCID67254508

未命名化合物

结构：CCOc1cc(CP(=O)(OCC)OCC)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

HCID86654045

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCC(c2ccc(Nc3nc(Nc4ccc(CP(=O)(OCC)OCC)cc4OCC)ncc3C(F)(F)F)c3c2CN(C)C3=O)CC1

HCID58292997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3277bf0f60ff42f3ba7c7b9e822ab689
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:28][CH2:29][CH3:30])[cH:15][c:16]([CH2:17][P:18]([O:19][CH2:20][CH3:21])([O:22][CH2:23][CH3:24])=[O:25])[cH:26][cH:27]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[NH2:31][c:32]1[cH:33][cH:34][c:35]([CH:43]2[CH2:44][CH2:45][CH:46]([C:49](=[O:50])[O:51][CH2:52][CH3:53])[CH2:47][CH2:48]2)[c:36]2[c:40]1[C:39](=[O:41])[N:38]([CH3:42])[CH2:37]2>>[c:2]1([NH:31][c:32]2[cH:33][cH:34][c:35]([CH:43]3[CH2:44][CH2:45][CH:46]([C:49](=[O:50])[O:51][CH2:52][CH3:53])[CH2:47][CH2:48]3)[c:36]3[c:40]2[C:39](=[O:41])[N:38]([CH3:42])[CH2:37]3)[n:3][c:4]([NH:12][c:13]2[c:14]([O:28][CH2:29][CH3:30])[cH:15][c:16]([CH2:17][P:18]([O:19][CH2:20][CH3:21])([O:22][CH2:23][CH3:24])=[O:25])[cH:26][cH:27]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]