HRID196530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

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

HCID74016047

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cc(C(F)(F)F)cc(C2(C(F)(F)F)CC(c3ccc(Br)c4ccccc34)=NO2)c1

HCID86646212

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-140962e74edf4bba990cdbd90e128421
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:9][c:10]1[cH:11][cH:12][c:13]([CH:20]=[N:21][OH:22])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[F:23][C:24]([c:25]1[cH:26][c:27]([C:37]([F:38])([F:39])[F:40])[cH:28][c:29]([C:31](=[CH2:32])[C:33]([F:34])([F:35])[F:36])[cH:30]1)([F:41])[F:42].[OH2:55]>>[Br:9][c:10]1[cH:11][cH:12][c:13]([C:20]2=[N:21][O:22][C:31]([c:29]3[cH:28][c:27]([C:37]([F:38])([F:39])[F:40])[cH:26][c:25]([C:24]([F:23])([F:41])[F:42])[cH:30]3)([C:33]([F:34])([F:35])[F:36])[CH2:32]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12