HRID1540607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID23938

Palladium

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID95417

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

C17H14O

3 次

结构：Fc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1Br

HCID57971188

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F

HCID44512896

2-Fluoro-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzonitrile

C22H13FN6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d3c39dc84de4f2aba9481c1980c208d
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

[Br:9][c:10]1[c:11]([F:36])[cH:12][c:13](-[c:16]2[cH:17][n:18][c:19]3[n:20]([n:21]2)[c:22]([CH2:25][c:26]2[cH:27][c:28]4[cH:29][cH:30][cH:31][n:32][c:33]4[cH:34][cH:35]2)[cH:23][n:24]3)[cH:14][cH:15]1.[C-:42]#[N:43].[C-:45]#[N:46].[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][N:6]([CH3:7])[CH3:8].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:47].[Pd:48].[Zn+2:44]>>[C:1](#[N:2])[c:10]1[c:11]([F:36])[cH:12][c:13](-[c:16]2[cH:17][n:18][c:19]3[n:20]([n:21]2)[c:22]([CH2:25][c:26]2[cH:27][c:28]4[cH:29][cH:30][cH:31][n:32][c:33]4[cH:34][cH:35]2)[cH:23][n:24]3)[cH:14][cH:15]1