HRID183351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID2756993

2-Bromo-4-fluoro-1-nitrobenzene

C6H3BrFNO2

结构：Nc1nc(Cl)c2[nH]c(=O)n(C3CCC(O)CC3)c2n1

HCID57612653

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2c(Cl)nc(Nc3cc(F)ccc3[N+](=O)[O-])nc2n1C1CCC(O)CC1

HCID57612739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fa9a40850d14a3eaf80f6d469b9591b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:72][c:73]1[c:74]([N+:80](=[O:81])[O-:82])[cH:75][cH:76][c:77]([F:79])[cH:78]1.[C:20](=[O:21])([O-:22])[O-:23].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Cs+:24].[Cs+:25].[NH2:1][c:2]1[n:3][c:4]([Cl:19])[c:5]2[nH:6][c:7](=[O:18])[n:8]([CH:11]3[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]3)[c:9]2[n:10]1.[O-:84][C:85]([CH3:86])=[O:87].[O-:88][C:89]([CH3:90])=[O:91].[Pd+2:83].[cH:26]1[cH:27][cH:28][c:29]([P:30]([c:31]2[cH:32][cH:33][c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[c:40]2-[c:41]2[c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[cH:48][cH:49][c:50]2[P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71]1>>[NH:1]([c:2]1[n:3][c:4]([Cl:19])[c:5]2[nH:6][c:7](=[O:18])[n:8]([CH:11]3[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]3)[c:9]2[n:10]1)[c:73]1[c:74]([N+:80](=[O:81])[O-:82])[cH:75][cH:76][c:77]([F:79])[cH:78]1