HRID811851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID16086086

4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C14H19BO4

结构：CN(C(=O)OC(C)(C)C)C(=O)c1c(-c2ccc(F)cc2)nn2ccc(Cl)c(F)c12

HCID59233723

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)O)cc1-c1ccn2nc(-c3ccc(F)cc3)c(C(=O)N(C)C(=O)OC(C)(C)C)c2c1F

HCID59233836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5eb2591bbc1426393b61a0937cea22d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:30][c:31]1[c:32]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]1.[Cl:1][c:2]1[c:3]([F:29])[c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9](-[c:22]1[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]1)[c:10]2[C:11](=[O:12])[N:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH3:21].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH2:61]>>[c:2]1(-[c:32]2[c:31]([CH3:30])[cH:39][cH:38][c:34]([C:35](=[O:36])[OH:37])[cH:33]2)[c:3]([F:29])[c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9](-[c:22]1[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]1)[c:10]2[C:11](=[O:12])[N:13]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH3:21]