HRID293030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID15618226

Methyl 3-bromo-5-methoxybenzoate

C9H9BrO3

HCID69362346

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(OC)cc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)c1

HCID68416987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-779e5c8f5c8a46bf883e805754d59dfb
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][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH3:13])[cH:11]1.[C:33](=[O:34])([O-:35])[O-:36].[C:45]([O-:46])(=[O:47])[CH3:48].[C:50]([O-:51])(=[O:52])[CH3:53].[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:14][O:15][CH:16]1[CH2:17][NH:18][CH2:19][CH2:20][CH:21]1[NH:22][C:23]([O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32].[Cs+:37].[Cs+:38].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[Pd+2:49]>>[c:2]1([N:18]2[CH2:17][CH:16]([O:15][CH3:14])[CH:21]([NH:22][C:23]([O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)=[O:32])[CH2:20][CH2:19]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH3:13])[cH:11]1