HRID1214331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID139377

Methylboronic acid

CH5BO2

HCID11244775

Tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate

C14H20BrN3O2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

HCID45788994

tert-Butyl 4-(5-methylpyridin-2-yl)piperazine-1-carboxylate

C15H23N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58b191d3346e450e9e8984bea5a6cbf1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([Br:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:52][B:53]([OH:54])[OH:55].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2-[c:35]2[c:36]([O:37][CH3:38])[cH:39][cH:40][cH:41][c:42]2[O:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[F-:50].[K+:51].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[Pd+2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][c:17]([CH3:21])[cH:18][cH:19]2)[CH2:12][CH2:13]1