HRID284261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

HCID58317713

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2nc(NC3CCCCC3NC(=O)OC(C)(C)C)cc(C#N)c2C(=O)OC)cn1

HCID77252981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb1bbb248c46432c8401d9ed693752c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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