HRID158488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID21525435

Methyl 5-bromo-2-fluorobenzoate

C8H6BrFO2

结构：CC(C)(C)OC(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1O

HCID59219096

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(O)c(CNC(=O)OC(C)(C)C)c2)ccc1F

HCID59219269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83c4b57294c54f468eba60dfadf22caf
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

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