HRID167956

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID67984

Benzenamine, 2-fluoro-4-methyl- (9CI)

C7H8FN

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID66673372

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Nc2c(C)c(=O)n(C)c3c(C)n[nH]c(=O)c23)c(F)c1

HCID57636929

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c2156f61e594f74aea49d234c581046
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:10](=[O:11])([O-:12])[O-:13].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl:16][c:17]1[c:18]([CH3:31])[c:19](=[O:30])[n:20]([CH3:29])[c:21]2[c:22]([CH3:28])[n:23][nH:24][c:25](=[O:27])[c:26]12.[Cs+:14].[Cs+:15].[F:1][c:2]1[c:3]([NH2:9])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[F:1][c:2]1[c:3]([NH:9][c:17]2[c:18]([CH3:31])[c:19](=[O:30])[n:20]([CH3:29])[c:21]3[c:22]([CH3:28])[n:23][nH:24][c:25](=[O:27])[c:26]23)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1