HRID206819

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

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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

HCID634876

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

C44H32P2

HCID49851899

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1

HCID49851900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1862e0f967b48f1b0e58e9deb5cc92c
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

[C:14](=[O:15])([O-:16])[O-:17].[C:92]([O-:93])(=[O:94])[CH3:95].[C:97]([O-:98])(=[O:99])[CH3:100].[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Cs+:18].[Cs+:19].[F:66][C:67]([F:68])([F:69])[S:70]([O:71][c:72]1[c:73]2[cH:74][cH:75][c:76]([CH3:82])[n:77][c:78]2[cH:79][cH:80][cH:81]1)(=[O:83])=[O:84].[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Pd+2:96].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[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>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([c:72]2[c:73]3[cH:74][cH:75][c:76]([CH3:82])[n:77][c:78]3[cH:79][cH:80][cH:81]2)[CH2:5][CH2:6]1