HRID206629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID95672

5-Phenyl-2-pyrrolidinone

C10H11NO

HCID19351990

1-Chloro-4-(4-iodophenoxy)benzene

C12H8ClIO

PRODUCTS

生成物

结构：O=C1CCC(c2ccccc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

HCID56956597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd3b2713670c4246905e218f5ccf9d50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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