HRID2314751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID12286

3-Bromopyridine

C5H4BrN

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

结构：C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(F)cc(C#N)cc12

HCID23070142

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(F)c2c(c1)c(C=Cc1cccnc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID68930369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8f3cf6c29184aa5b7751d08aa697e37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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