HRID1572145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8078

Cyclohexane

C6H12

HCID19660

Carbonate

CO3-2

HCID226102

phenyl(piperidin-4-yl)methanone

C12H15NO

结构：COc1cc2[nH]c(C)c(C(=O)C(=O)Cl)c2cc1OC

HCID13195539

未命名化合物

PRODUCTS

生成物

结构：COc1cc2[nH]c(C)c(C(=O)C(=O)N3CCC(C(=O)c4ccccc4)CC3)c2cc1OC

HCID13195540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef21290b422e4704833f4bc0bda2ae3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)(=[O:27])[CH:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[C:35](=[O:36])([O-:37])[O-:38].[CH2:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([C:15]([C:16](=[O:17])[Cl:18])=[O:19])[c:7]([CH3:14])[nH:8][c:9]2[cH:10][c:11]1[O:12][CH3:13].[CH:47]([Cl:48])([Cl:49])[Cl:50].[K+:39].[K+:40].[OH2:34]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([C:15]([C:16](=[O:17])[N:31]3[CH2:30][CH2:29][CH:28]([C:20]([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)=[O:27])[CH2:33][CH2:32]3)=[O:19])[c:7]([CH3:14])[nH:8][c:9]2[cH:10][c:11]1[O:12][CH3:13]