HRID124770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID95417

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

C17H14O

3 次

HCID66960876

未命名化合物

PRODUCTS

生成物

HCID66961248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ffc4cad4635497bad2aaf9200d9a864
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:1][c:2]1[cH:3][c:4]([O:15][CH3:16])[c:5](-[n:9]2[cH:10][n:11][c:12]([CH3:14])[cH:13]2)[cH:6][c:7]1[F:8].[C-:29]#[N:30].[C-:32]#[N:33].[CH3:18][CH2:19][O:20][C:21](=[O:22])[CH3:23].[NH3:17].[O:24]=[CH:25][N:26]([CH3:27])[CH3:28].[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[Pd:34].[Pd:35].[Zn+2:31]>>[c:2]1([C:18]#[N:17])[cH:3][c:4]([O:15][CH3:16])[c:5](-[n:9]2[cH:10][n:11][c:12]([CH3:14])[cH:13]2)[cH:6][c:7]1[F:8]