HRID89843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

HCID11457

Benzene, 1-bromo-3-nitro-

C6H4BrNO2

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

PRODUCTS

生成物

HCID1253273

4-(3-Nitrophenyl)morpholine

C10H12N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-288ec6001687493c9156e3c2941c934b
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][c:4]([N+:8](=[O:9])[O-:10])[cH:5][cH:6][cH:7]1.[C:57](=[O:58])([O-:59])[O-:60].[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH2:63]1[CH2:64][O:65][CH2:66][CH2:67][NH:68]1.[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cs+:61].[Cs+:62].[Pd+2:73].[cH:11]1[cH:12][cH:13][c:14]([P:15]([c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:21][cH:22][cH:23][cH:24]3)[c:25]2-[c:26]2[c:27]3[c:28]([cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34][c:35]2[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)[cH:55][cH:56]1>>[c:2]1([N:68]2[CH2:63][CH2:64][O:65][CH2:66][CH2:67]2)[cH:3][c:4]([N+:8](=[O:9])[O-:10])[cH:5][cH:6][cH:7]1