HRID139240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID13399987

Methyl 4-(bromomethyl)-3-nitrobenzoate

C9H8BrNO4

结构：CC(C)(C)OC(=O)CCc1cc(Cl)c(C=O)c(Cl)c1

HCID86632825

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=Cc2c(Cl)cc(CCC(=O)OC(C)(C)C)cc2Cl)c([N+](=O)[O-])c1

HCID66965272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67701c76b3f94799b1c8aa9aed2818c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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