HRID1212796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

2 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID8471

Triethylamine

C6H15N

HCID32051

Zinc (II) cation

Zn+2

HCID2782774

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

C5HCl2F3N2

HCID86653997

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c(OC)c1)OCC

HCID86654002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c62a1e92659423ea71cf9a8db209f0b
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

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