HRID1536285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID13831

Tributylphosphine

C12H27P

HCID23938

Palladium

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID95417

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

C17H14O

3 次

HCID57438714

未命名化合物

PRODUCTS

生成物

HCID11529339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63d1717abda343fc8061500e0c63db1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C-:39]#[N:40].[C-:42]#[N:43].[CH2:20]([P:21]([CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH3:32].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([CH:10]([CH3:11])[OH:12])[c:13]2[cH:14][c:15]([Br:19])[cH:16][cH:17][cH:18]2)[cH:6][cH:7]1.[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[OH2:33].[Pd:44].[Pd:45].[Zn+2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([CH:10]([CH3:11])[OH:12])[c:13]2[cH:14][c:15]([C:34]#[N:35])[cH:16][cH:17][cH:18]2)[cH:6][cH:7]1