HRID1225643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID11415159

未命名化合物

HCID11622359

未命名化合物

PRODUCTS

生成物

结构：Cn1cnn2c(-c3ccc(F)c(-c4ccc(F)cc4C#N)c3)cnc2c1=O

HCID9841939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38a46210d04b44a8802938d64322bf35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:12][c:13]1[cH:14][cH:15][c:16]([F:28])[c:17](-[c:19]2[c:20]([C:26]#[N:27])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[cH:18]1.[CH3:1][n:2]1[cH:3][n:4][n:5]2[c:6]([c:7]1=[O:8])[n:9][cH:10][cH:11]2.[CH3:30][C:31](=[O:32])[O-:33].[CH3:53][N:54]([CH3:55])[C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[K+:29].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[Pd+2:65].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH3:1][n:2]1[cH:3][n:4][n:5]2[c:6]([c:7]1=[O:8])[n:9][cH:10][c:11]2-[c:13]1[cH:14][cH:15][c:16]([F:28])[c:17](-[c:19]2[c:20]([C:26]#[N:27])[cH:21][c:22]([F:25])[cH:23][cH:24]2)[cH:18]1