HRID1152854

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

HCID5092

4-(3-Cyclopentyloxy-4-methoxyphenyl)-2-pyrrolidone

C16H21NO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

PRODUCTS

生成物

结构：COc1ccc(C2CC(=O)N(c3cccc(C#N)c3)C2)cc1OC1CCCC1

HCID10474669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71d9805764624d3b9a2800b3016344b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:1]1([O:6][c:7]2[cH:8][c:9]([CH:15]3[CH2:16][C:17](=[O:20])[NH:18][CH2:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:38]1([NH2:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH:44]1[NH2:45].[Cu:52][I:53].[K+:35].[K+:36].[K+:37].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P:30]([O-:31])([O-:32])([O-:33])=[O:34]>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([CH:15]3[CH2:16][C:17](=[O:20])[N:18]([c:22]4[cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28][cH:29]4)[CH2:19]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1