HRID2345275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID420926

3-cyanopiperidine

C6H10N2

结构：Cc1nc(Cl)c2c(C)c(C)n(-c3ccc(C(F)(F)F)cc3Br)c2n1

HCID59845599

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCCC(C#N)C2)c2c(C)c(C)n(-c3ccc(C(F)(F)F)cc3Br)c2n1

HCID10458359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc008bbdaca04669ac7fe12c939ae874
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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