HRID1211767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6569

Methyl ethyl ketone

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

结构：COc1ccccc1OCCCc1oc(Cl)nc1-c1ccc(Cl)cc1

HCID10959800

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccccc3OC)o2)CC1

HCID18174717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2de910e03d694366a18ff3d2a01c863b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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