HRID1201830

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

HCID81531

Diisopropylethylamine

C8H19N

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

HCID57612644

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]c2c(Cl)nc(Nc3cc(F)ccc3[N+](=O)[O-])nc2n1C1CCOCC1

HCID86622932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e23cf683d5f847adb5d7ddde973f1c83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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