HRID1129500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21277355

Ethyl 4-fluoro-3-nitrobenzoate

C9H8FNO4

HCID59762316

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C(C(=O)NCc2ccc(F)c(F)c2)C(=O)C(C)(C)C)c([N+](=O)[O-])c1

HCID59762433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81dda55bf807471ab1a1f28e220ffb31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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