HRID2129151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID70714

3-Iodopyridine

C5H4IN

HCID83717

Copper iodide (CuI2)

CuI2

HCID2778497

1-(difluoromethoxy)-4-ethynylbenzene

C9H6F2O

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID68997350

3-{[4-(Difluoromethoxy)phenyl]ethynyl}pyridine

C14H9F2NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f717b28277f14984883d5b5c84e0c8ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][C:28]#[N:29].[Cu:107]([I:108])[I:109].[F:8][CH:9]([O:10][c:11]1[cH:12][cH:13][c:14]([C:17]#[CH:18])[cH:15][cH:16]1)[F:19].[I:1][c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1.[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[c:2]1([C:18]#[C:17][c:14]2[cH:13][cH:12][c:11]([O:10][CH:9]([F:8])[F:19])[cH:16][cH:15]2)[cH:3][n:4][cH:5][cH:6][cH:7]1