HRID100683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

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

HCID34178604

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

C13H24N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(F)cc3)CC2)C1

HCID66701232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a2e050312984aa69a35ec3aee236e9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1.[CH2:1]1[N:2]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:3][CH2:4][C:5]12[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2.[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O-:80][C:81]([CH3:82])=[O:83].[O-:84][C:85]([CH3:86])=[O:87].[Pd+2:79].[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>>[CH2:1]1[N:2]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:3][CH2:4][C:5]12[CH2:6][CH2:7][N:8]([c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[CH2:9][CH2:10]2