HRID1217979

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID15087784

tert-Butyl 2-methylpiperazine-1-carboxylate

C10H20N2O2

HCID86603313

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2cccc(-c3ccnc(Cl)n3)c2)CCN1C(=O)OC(C)(C)C

HCID87247315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94e26e77b8ce492b90525eca951b3236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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