HRID159588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

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

HCID637593

4,4-Dimethyl-2-pyrrolidinone

C6H11NO

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(N3CC(C)(C)CC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID46849079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bea6aff968842c7890d8d4dcfd41906
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:29][C:30]1([CH3:36])[CH2:31][C:32](=[O:35])[NH:33][CH2:34]1.[Cu:64][I:65].[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+:50].[K+:51].[K+:52].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[P:45]([O-:46])([O-:47])([O-:48])=[O:49]>>[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:33]2[C:32](=[O:35])[CH2:31][C:30]([CH3:29])([CH3:36])[CH2:34]2)[cH:7]1