HRID2144828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID59177864

未命名化合物

HCID178505620

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(-n2nc(Cc3ccccc3F)c3ncccc32)nc(N)c1[N+](=O)[O-]

HCID59177873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e8ee5ffb1324c0bbdbd85874978d822
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

[C:64](=[O:65])([O-:66])[O-:67].[CH3:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[CH:30]1([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2-[c:44]2[c:45]([CH:46]([CH3:47])[CH3:48])[cH:49][c:50]([CH:51]([CH3:52])[CH3:53])[cH:54][c:55]2[CH:56]([CH3:57])[CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:18][c:19]1[n:20][c:21]([NH2:29])[c:22]([N+:26](=[O:27])[O-:28])[c:23]([NH2:25])[n:24]1.[Cs+:68].[Cs+:69].[F:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][nH:7][c:8]3[c:9]2[n:10][cH:11][cH:12][cH:13]3)[cH:14][cH:15][cH:16][cH:17]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[CH:127][N:128]([CH3:129])[CH3:130].[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71]>>[F:1][c:2]1[c:3]([CH2:4][c:5]2[n:6][n:7](-[c:19]3[n:20][c:21]([NH2:29])[c:22]([N+:26](=[O:27])[O-:28])[c:23]([NH2:25])[n:24]3)[c:8]3[c:9]2[n:10][cH:11][cH:12][cH:13]3)[cH:14][cH:15][cH:16][cH:17]1