HRID2128418

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：Cc1ccc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)O)cc1C

HCID68581057

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1C

HCID59260993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53366550397d476d8ab3751dca81832f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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