HRID691938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID4610

1,2-Cyclohexanediamine

C6H14N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID57959396

未命名化合物

HCID178512076

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCN(Cc3ccccc3)C2=NC#N)sc1C(=O)NCc1ccccc1

HCID59481237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15776cc0b8184ac5bcbd4030ffac2f74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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