HRID308842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID770643

3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine

C14H19N3

HCID7210837

methyl 2-bromo-4-fluorobenzoate

C8H6BrFO2

PRODUCTS

生成物

结构：COC(=O)c1ccc(F)cc1Nc1cc(C(C)(C)C)nn1-c1ccccc1C

HCID58958586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72abe9b305444ca0bfd37d0ec5540bd1
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

[Br:18][c:19]1[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][c:27]([F:29])[cH:28]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[c:8]([NH2:10])[cH:9]1.[C:76](=[O:77])([O-:78])[O-:79].[Cs+:80].[Cs+:81].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:82].[Pd:83].[cH:30]1[cH:31][cH:32][c:33]([P:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[c:12]([CH3:17])[cH:13][cH:14][cH:15][cH:16]2)[c:8]([NH:10][c:19]2[c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][c:27]([F:29])[cH:28]2)[cH:9]1