HRID146879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7928

Benzene, 1-bromo-3-chloro-

C6H4BrCl

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

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

HCID634876

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

C44H32P2

HCID2756819

1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate

C11H20N2O4

PRODUCTS

生成物

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1c1cccc(Cl)c1

HCID69244476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e7d08c2408c4224a7c56c25fc773104
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:18][c:19]1[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]1.[C:72](=[O:73])([O-:74])[O-:75].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cs+:76].[Cs+:77].[N:1]1([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:2][CH:3]([C:7](=[O:8])[O:9][CH3:10])[NH:4][CH2:5][CH2:6]1.[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:85].[Pd:86].[cH:26]1[cH:27][cH:28][c:29]([P:30]([c:31]2[cH:32][cH:33][c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[c:40]2-[c:41]2[c:42]3[c:43]([cH:44][cH:45][cH:46][cH:47]3)[cH:48][cH:49][c:50]2[P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71]1>>[N:1]1([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:2][CH:3]([C:7](=[O:8])[O:9][CH3:10])[N:4]([c:19]2[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]2)[CH2:5][CH2:6]1