HRID1126077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID12167312

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccccc1C

HCID54387824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-208ed0b53bc8407e8830f645b80eadc9
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

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