HRID106468

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID5975

Cyanide

CN-

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID95417

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

C17H14O

3 次

HCID96743

2-Bromo-5-fluorotoluene

C7H6BrF

PRODUCTS

产物

HCID3826055

4-Fluoro-2-methylbenzonitrile

C8H6FN

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-89fc271493b248bc81488a26ec3318cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:6][c:7]1[c:8]([CH3:14])[cH:9][c:10]([F:13])[cH:11][cH:12]1.[C-:18]#[N:19].[C-:21]#[N:22].[Cl-:15].[NH3:17].[NH4+:16].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[O:25]=[C:26]([CH:27]=[CH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[OH2:79].[Pd:23].[Pd:24].[Zn+2:20]>>[N:3]#[C:5][c:7]1[c:8]([CH3:14])[cH:9][c:10]([F:13])[cH:11][cH:12]1