HRID168918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

结构：COC(=O)COc1ccc(Cl)c2[nH]c(=O)c(Cc3ccc(-n4cccn4)cc3)c(C)c12

HCID67459078

[8-Chloro-4-methyl-2-oxo-3-(4-pyrazol-1-ylbenzyl)-1,2-dihydroquinolin-5-yloxy]acetic acid methyl ester

C23H20ClN3O4

PRODUCTS

生成物

结构：COC(=O)COc1ccc(Cl)c2nc(OC)c(Cc3ccc(-n4cccn4)cc3)c(C)c12

HCID67455341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e78dd3e7bbb4a959bf2cb5b05786f66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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