HRID105967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

结构：COC(=O)c1c(Br)ccc(NC(C)=O)c1[N+](=O)[O-]

HCID11151255

Methyl 3-acetylamino-6-bromo-2-nitrobenzoate

C10H9BrN2O5

PRODUCTS

生成物

结构：COC(=O)C=Cc1ccc(NC(C)=O)c([N+](=O)[O-])c1C(=O)OC

HCID68701223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-805c9aaaca2a4857acbde058b537cde4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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