HRID668497

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

HCID86654046

未命名化合物

PRODUCTS

生成物

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

HCID86654045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6264e8dd3ca48f9bdb4f2f1de7fcd5f
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

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