HRID682426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID138835

1-Bromo-4-phenylmethoxybenzene

C13H11BrO

HCID4574913

未命名化合物

HCID16115439

4-[4-(Trifluoromethoxy)phenoxy]piperidine

C12H14F3NO2

PRODUCTS

生成物

结构：FC(F)(F)Oc1ccc(OC2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc1

HCID68483077

1-[4-(Phenylmethoxy)phenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine

C25H24F3NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cd06f8ee18545788efd57f9647830ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:19][c:20]1[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:24][cH:25]1.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:62][CH2:63][OH:64].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1)([F:17])[F:18].[Na+:39].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[OH2:65].[Pd+2:53]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:24][cH:25]3)[CH2:13][CH2:14]2)[cH:15][cH:16]1)([F:17])[F:18]