HRID203485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6579

Acrylamide

C3H5NO

HCID8857

Ethyl acetate

C4H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：CCOC(=O)C1=Cc2cc(Br)cc(Cl)c2OC1C(F)(F)F

HCID58935022

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=Cc2cc(C=CC(N)=O)cc(Cl)c2OC1C(F)(F)F

HCID69518490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11194f03379a4a4488af6ae14daa7c38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[O:8][CH:7]([C:13]([F:14])([F:15])[F:16])[C:6]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[CH:5]2.[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH2:63]([O:64][C:65](=[O:66])[CH3:67])[CH3:68].[CH3:45][C:46](=[O:47])[O-:48].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[NH2:49][C:50](=[O:51])[CH:52]=[CH2:53].[Na+:44].[Pd+2:58].[c:22]1([CH3:23])[cH:24][cH:25][cH:26][cH:27][c:28]1[P:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1[CH3:43]>>[c:2]1([CH:53]=[CH:52][C:50]([NH2:49])=[O:51])[cH:3][c:4]2[c:9]([c:10]([Cl:12])[cH:11]1)[O:8][CH:7]([C:13]([F:14])([F:15])[F:16])[C:6]([C:17](=[O:18])[O:19][CH2:20][CH3:21])=[CH:5]2