HRID163597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12070

Benzoic acid, 3-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

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

HCID1514304

4-Cbz-aminopiperidine

C13H18N2O2

PRODUCTS

生成物

结构：COC(=O)c1cccc(N2CCC(NC(=O)OCc3ccccc3)CC2)c1

HCID68405998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c65183803b8f444db2041b7275763daf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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