HRID141265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID2063847

未命名化合物

结构：C=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F

HCID49820882

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1

HCID86761691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74d08f8b617747ccbf19655e4790bb9b
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:40](=[O:41])([O-:42])[OH:43].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:8][OH:9])[cH:10][cH:11]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:12][N:13]1[C:14](=[O:15])[CH2:16][CH2:17][C:18]1=[O:19].[F:20][C:21]([c:22]1[cH:23][c:24]([C:32](=[CH2:33])[C:34]([F:35])([F:36])[F:37])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:38])[F:39].[K+:44].[OH2:50]>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:7]2=[N:8][O:9][C:32]([c:24]3[cH:23][c:22]([C:21]([F:20])([F:38])[F:39])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]3)([C:34]([F:35])([F:36])[F:37])[CH2:33]2)[cH:10][cH:11]1