HRID215423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1ccc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)O)cc1CC

HCID22184578

未命名化合物

HCID28283030

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

C12H25N3

PRODUCTS

生成物

结构：CCc1ccc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1CC

HCID178436293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b0cb0803f5c47bf884ce6126fec1210
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[NH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([N:25]3[C:26](=[O:36])[NH:27][c:28]4[c:29]([cH:32][cH:33][cH:34][cH:35]4)[CH2:30][CH2:31]3)[CH2:23][CH2:24]2)[cH:6][cH:7][c:8]1[CH2:9][CH3:10].[CH:37]([CH3:38])([CH3:39])[N:40]1[CH2:41][CH2:42][N:43]([CH:46]2[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]2)[CH2:44][CH2:45]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][c:5]([CH2:11][CH:12]([C:13](=[O:14])[N:49]2[CH2:48][CH2:47][CH:46]([N:43]3[CH2:42][CH2:41][N:40]([CH:37]([CH3:38])[CH3:39])[CH2:45][CH2:44]3)[CH2:51][CH2:50]2)[NH:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([N:25]3[C:26](=[O:36])[NH:27][c:28]4[c:29]([cH:32][cH:33][cH:34][cH:35]4)[CH2:30][CH2:31]3)[CH2:23][CH2:24]2)[cH:6][cH:7][c:8]1[CH2:9][CH3:10]