HRID99703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID73949

2-Oxazolidinone

C3H5NO2

结构：COc1cn(-c2ccc(I)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID59436214

1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

C20H14FIN4O2

PRODUCTS

生成物

结构：COc1cn(-c2ccc(N3CCOC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID46848917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ffb544cb0c94b0ab9c723c3c36bdf48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[Cu:57][I:58].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[K+:48].[K+:49].[K+:50].[NH2:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH:41]1[NH2:42].[O:29]1[C:30](=[O:34])[NH:31][CH2:32][CH2:33]1.[OH2:59].[P:43]([O-:44])([O-:45])([O-:46])=[O:47]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([N:31]2[C:30](=[O:34])[O:29][CH2:33][CH2:32]2)[cH:7]1