HRID282671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID15458

tert-Butyl acrylate

C7H12O2

HCID70741

Benzaldehyde, 4-bromo-

C7H5BrO

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID54147604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81e41ec34a74426194aae75baaf45662
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:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1.[C:41]([CH:42]=[CH2:43])(=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH:56]([O:57][CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55].[Pd+2:63].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[c:2]1([CH:43]=[CH:42][C:41](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1