HRID87679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：O=[N+]([O-])c1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1

HCID58287795

未命名化合物

HCID66738491

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1)C1CCCC1C(=O)OCc1ccccc1

HCID67153755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-199f3f60e272408f8a48b142b0b43c92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][C:35](=[O:36])[CH:37]1[CH:38]([C:42](=[O:43])[OH:44])[CH2:39][CH2:40][CH2:41]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][CH2:53][OH:54].[CH3:60][N:61]([c:62]1[cH:63][cH:64][n:65][cH:66][cH:67]1)[CH3:68].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[ClH:26].[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][c:17]3[cH:18][c:19]([N+:23]([O-:24])=[O:25])[cH:20][cH:21][cH:22]3)[cH:13][cH:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[F:1][c:2]1[c:3](-[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][c:17]3[cH:18][c:19]([NH:23][C:42]([CH:38]4[CH:37]([C:35]([O:34][CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)=[O:36])[CH2:41][CH2:40][CH2:39]4)=[O:43])[cH:20][cH:21][cH:22]3)[cH:13][cH:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1