HRID1126357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

结构：C=CCN(C(=O)C(F)(F)F)C(C)Cc1cc(OC)ccc1I

HCID86611333

未命名化合物

PRODUCTS

生成物

结构：C=C1CN(C(=O)C(F)(F)F)C(C)Cc2cc(OC)ccc21

HCID22292791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe67f07a82be42b1a5150d8e7cdbb9f1
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

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