HRID1124781

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID28283030

1-(Piperidin-4-yl)-4-(propan-2-yl)piperazine

C12H25N3

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(C)C)CC3)CC2)cc1C

HCID59260972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75a2c61a542c4bc48ff982f1d350811c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH: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>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]([C:7](=[O:8])[N:46]2[CH2:45][CH2:44][CH:43]([N:40]3[CH2:39][CH2:38][N:37]([CH:34]([CH3:35])[CH3:36])[CH2:42][CH2:41]3)[CH2:48][CH2:47]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]