HRID315582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782774

2,4-Dichloro-5-(trifluoromethyl)pyrimidine

C5HCl2F3N2

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1)OCC

HCID86654003

未命名化合物

结构：Nc1ccc(CP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1

HCID86654030

未命名化合物

PRODUCTS

生成物

结构：O=P(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1)(OCC(F)(F)F)OCC(F)(F)F

HCID86654029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ea6d19f00c4c8e9bbe0e24e2ffde16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][P:18](=[O:19])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[Cl:50][c:51]1[n:52][c:53]([Cl:54])[c:55]([C:56]([F:57])([F:58])[F:59])[cH:60][n:61]1.[F:28][C:29]([CH2:30][O:31][P:32]([O:33][CH2:34][C:35]([F:36])([F:37])[F:38])(=[O:39])[CH2:40][c:41]1[cH:42][cH:43][c:44]([NH2:47])[cH:45][cH:46]1)([F:48])[F:49]>>[Cl:1][c:2]1[n:3][c:4]([NH:47][c:44]2[cH:43][cH:42][c:41]([CH2:40][P:32]([O:31][CH2:30][C:29]([F:28])([F:48])[F:49])([O:33][CH2:34][C:35]([F:36])([F:37])[F:38])=[O:39])[cH:46][cH:45]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]