HRID320038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID624016

Methyl 3,5-dibromo-4-methylbenzoate

C9H8Br2O2

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

结构：COC(=O)c1cc(Br)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID69245426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20cbd8b25dee49b5b65698c68a2490c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:60](=[O:61])([O-:62])[O-:63].[C:66](=[O:67])([O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[N:73]1[CH2:74][CH2:75][NH:76][CH2:77][CH2:78]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:12])[c:7]([CH3:11])[c:8]([Br:10])[cH:9]1)=[O:13].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[Cs+:64].[Cs+:65].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:130]=[C:131]([CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1)[CH:140]=[CH:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:92].[Pd:93].[cH:14]1[cH:15][cH:16][c:17]([P:18]([c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:24][cH:25][cH:26][cH:27]3)[c:28]2-[c:29]2[c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[cH:36][cH:37][c:38]2[P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:12])[c:7]([CH3:11])[c:8]([N:76]2[CH2:75][CH2:74][N:73]([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[CH2:78][CH2:77]2)[cH:9]1)=[O:13]