HRID1142428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6115

Aniline

C6H7N

HCID8471

Triethylamine

C6H15N

HCID25840

2-Bromo-4-nitroaniline

C6H5BrN2O2

结构：O=C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

HCID2776044

Perfluorocyclohexanecarbonyl fluoride

C7F12O

PRODUCTS

生成物

结构：O=C(Nc1ccc([N+](=O)[O-])cc1Br)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

HCID163772

N-(2-Bromo-4-nitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide

C13H4BrF11N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ccedcbf612349f7af3266d2f59f6c68
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

[Br:28][c:29]1[c:30]([NH2:31])[cH:32][cH:33][c:34]([N+:36](=[O:37])[O-:38])[cH:35]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[F:1][C:2]1([C:18](=[O:19])[F:20])[C:3]([F:16])([F:17])[C:4]([F:14])([F:15])[C:5]([F:12])([F:13])[C:6]([F:10])([F:11])[C:7]1([F:8])[F:9].[NH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[F:1][C:2]1([C:18](=[O:19])[NH:31][c:30]2[c:29]([Br:28])[cH:35][c:34]([N+:36](=[O:37])[O-:38])[cH:33][cH:32]2)[C:3]([F:16])([F:17])[C:4]([F:14])([F:15])[C:5]([F:12])([F:13])[C:6]([F:10])([F:11])[C:7]1([F:8])[F:9]