HRID1223450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID354317

Methyl 5-hydroxynicotinate

C7H7NO3

HCID14501706

2-{[3-(Chloromethyl)phenoxy]methyl}quinoline

C17H14ClNO

PRODUCTS

生成物

结构：COC(=O)c1cncc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1

HCID22241358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88b254273dc147a28ca05127d53901e6
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

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