HRID116869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID3776

Isopropanol

C3H8O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID30165

Iodide ion

I-

HCID19367127

5-Chloro-2-(piperazin-1-yl)benzonitrile

C11H12ClN3

结构：CC(C)(O)c1ccc2c(c1)C(=CCCBr)c1cccnc1CO2

HCID66685999

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1ccc2c(c1)C(=CCCN1CCN(c3ccc(Cl)cc3C#N)CC1)c1cccnc1CO2

HCID66757953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30f67f220a7e49c49034861c797aa5b1
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

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