HRID119052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID10911901

6-(5-Bromo-furan-2-yl)-nicotinonitrile

C10H5BrN2O

PRODUCTS

生成物

结构：N#Cc1ccc(-c2ccc(-c3ccc(C#N)cn3)o2)cc1

HCID11119184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f03c69a5e3c4412a173f548883c101a
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][cH:4][c:5](-[c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[o:6]1.[C:15](=[O:16])([O-:17])[O-:18].[C:21](#[N:22])[c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][OH:45].[Na+:19].[Na+:20].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([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)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:26]2[cH:25][cH:24][c:23]([C:21]#[N:22])[cH:28][cH:27]2)[cH:3][cH:4][c:5](-[c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[o:6]1