HRID679003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

结构：O=C1N(Cc2nc(-c3ccc(Br)cc3)no2)CCC1(c1ccc(F)cc1)c1ccc(F)cc1

HCID67377031

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(-c2noc(CN3CCC(c4ccc(F)cc4)(c4ccc(F)cc4)C3=O)n2)cc1

HCID67377657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b75586ae1f5477ba0a04379fe27943f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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