HRID154822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9015

4-Methoxyphenol

C7H8O2

HCID19660

Carbonate

CO3-2

HCID62652

未命名化合物

HCID70700

Dipivaloylmethane

C11H20O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID67110147

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ncc2c(Oc3ccc(OC)cc3)cccc2c1O

HCID67110249

Methyl 4-hydroxy-8-(4-methoxyphenoxy)-3-isoquinolinecarboxylate

C18H15NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5155c169fc534e79bf2d14bc16d1126f
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:26](=[O:27])([O-:28])[O-:29].[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]2[c:9]([I:16])[cH:10][cH:11][cH:12][c:13]2[c:14]1[OH:15].[CH3:32][C:33]([CH3:34])([C:35](=[O:36])[CH2:37][C:38](=[O:39])[C:40]([CH3:41])([CH3:42])[CH3:43])[CH3:44].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:45].[Cs+:30].[Cs+:31].[Cu:46][Cl:47].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:48]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]2[c:9]([O:25][c:22]3[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]3)[cH:10][cH:11][cH:12][c:13]2[c:14]1[OH:15]