HRID283801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID253123

6-Chloro-2-methyl-3-nitropyridine

C6H5ClN2O2

HCID57443261

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1[N+](=O)[O-]

HCID57443268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d2b2b245f7143cdbb2b06f8bd364f94
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

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