HRID1112858

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

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

HCID23436950

4-Bromo-2-(trifluoromethyl)pyridine

C6H3BrF3N

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(c3ccnc(C(F)(F)F)c3)CC2)C1

HCID66701130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e886f17d563b4f53ab9b8220915d1907
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:18][c:19]1[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[n:22][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.[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O-:83][C:84]([CH3:85])=[O:86].[O-:87][C:88]([CH3:89])=[O:90].[Pd+2:82].[cH:29]1[cH:30][cH:31][c:32]([P:33]([c:34]2[cH:35][cH:36][c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[c:43]2-[c:44]2[c:45]3[c:46]([cH:47][cH:48][cH:49][cH:50]3)[cH:51][cH:52][c:53]2[P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74]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][c:21]([C:25]([F:26])([F:27])[F:28])[n:22][cH:23][cH:24]1)[CH2:9][CH2:10]2