HRID88241

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795707

1-Methyl-4-(piperidin-4-yl)piperazine

C10H21N3

结构：CCc1ccc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1CC

HCID68578887

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1CC

HCID59260997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe1f0c3ded82439f89552760c953b3c7
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

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