HRID117893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69524

2,2-Diethoxyethanamine

C6H15NO2

结构：CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

HCID10959558

未命名化合物

PRODUCTS

生成物

结构：CCOC(CNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)cc1)OCC

HCID54453355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-551304980dd94b0d81fe3c123902bf52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:28]([CH3:29])[O:30][CH:31]([CH2:32][NH2:33])[O:34][CH2:35][CH3:36].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:33][CH2:32][CH:31]([O:30][CH2:28][CH3:29])[O:34][CH2:35][CH3:36])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1