HRID303748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31738

4-Benzylpiperidine

C12H17N

结构：COc1cc2c(CC(=O)O)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

HCID68613423

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(CC(=O)N3CCC(Cc4ccccc4)CC3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

HCID68612809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce70a7f21b3f43878e3b1caae7c471e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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