HRID299162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID1445157

3-methoxy-N-piperidin-4-ylbenzamide

C13H18N2O2

HCID59398039

1,2,3,4-Tetrahydro-2-oxo-7-quinolinecarboxaldehyde

C10H9NO2

PRODUCTS

生成物

结构：COc1cccc(C(=O)NC2CCN(Cc3ccc4c(c3)NC(=O)CC4)CC2)c1

HCID45255788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f7482bbb9e546d5992d72cc2058b219
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:31]([OH:32])(=[O:33])[CH3:34].[CH3:14][O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[NH:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:28][cH:29][cH:30]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl:37][CH:38]([Cl:39])[Cl:40].[Na+:36].[O:1]=[C:2]1[NH:3][c:4]2[cH:5][c:6]([CH:12]=[O:13])[cH:7][cH:8][c:9]2[CH2:10][CH2:11]1.[OH-:35].[OH2:47]>>[O:1]=[C:2]1[NH:3][c:4]2[cH:5][c:6]([CH2:12][N:25]3[CH2:24][CH2:23][CH:22]([NH:21][C:19]([c:18]4[cH:17][c:16]([O:15][CH3:14])[cH:30][cH:29][cH:28]4)=[O:20])[CH2:27][CH2:26]3)[cH:7][cH:8][c:9]2[CH2:10][CH2:11]1