HRID956596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl Acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2756810

tert-Butyl 3-methylpiperazine-1-carboxylate

C10H20N2O2

HCID72353503

未命名化合物

PRODUCTS

产物

反应SMILES：CC1CCc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3C)c21

HCID67338661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-630ab23652514a3d9ab6dd5a3f2d863b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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