HRID1223074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7294

Methyl acrylate

C4H6O2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID20785164

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=Cc1nn(C(=O)OC(C)(C)C)c2ccc(OC)cc12

HCID69618289

1,1-Dimethylethyl 5-methoxy-3-(3-methoxy-3-oxo-1-propen-1-yl)-1H-indazole-1-carboxylate

C17H20N2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e553eedad7fe4a9b83a6cbd407a9e2bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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