HRID1557224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID2736842

Methyl 2-chloroisonicotinate

C7H6ClNO2

PRODUCTS

产物

反应SMILES：COC(=O)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1

HCID66731996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-94b9f4de4c514c308230291424f0d40c
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:25](=[O:26])([O-:27])[O-:28].[C:40]([O:41][CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH3:38][OH:39].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1.[Cl:50][CH2:51][Cl:52].[ClH:31].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1)([F:23])[F:24].[K+:29].[K+:30].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[OH2:49].[Pd:46]([Cl:47])[Cl:48]>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:19][cH:18]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][cH:10][n:11]1