HRID959369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

反应SMILES：CC(C)n1ccc2c(Br)cc(C(F)(F)F)cc21

HCID67468533

未命名化合物

HCID178514179

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)n1ccc2c(C#N)cc(C(F)(F)F)cc21

HCID67466134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7a403473d6f149fab16406bbb219423b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:15]([CH3:16])[CH3:17])[c:7]2[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[C:18](#[N:19])[Zn:20][C:21]#[N:22].[Na+:29].[O:23]=[CH:24][N:25]([CH3:26])[CH3:27].[O:32]=[C:33]([CH:34]=[CH:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[OH-:28].[OH2:86].[Pd:30].[Pd:31]>>[c:2]1([C:18]#[N:19])[c:3]2[cH:4][cH:5][n:6]([CH:15]([CH3:16])[CH3:17])[c:7]2[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1