HRID2151906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10482

Acetyl bromide

C2H3BrO

HCID28179

Fluoride

F-

HCID90618

2,6-Bis(trifluoromethyl)benzoic acid

C9H4F6O2

结构：CCCCC(NC(=O)C(C)NC(=O)C(NC(=O)c1ccccc1)C(C)C)C(=O)O

HCID178446589

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

HCID86755193

未命名化合物

HCID178446589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e07d0076c474d31b03cee2875f1f683
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:20][C:21](=[O:22])[CH3:23].[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)(=[O:31])[NH:32][CH:33]([CH:34]([CH3:35])[CH3:36])[C:37](=[O:38])[NH:39][CH:40]([CH3:41])[C:42](=[O:43])[NH:44][CH:45]([CH2:46][CH2:47][CH2:48][CH3:49])[C:50](=[O:51])[OH:52].[F-:1].[F:3][C:4]([c:5]1[c:6]([C:7](=[O:8])[OH:9])[c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]1)([F:18])[F:19].[K+:2].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)(=[O:31])[NH:32][CH:33]([CH:34]([CH3:35])[CH3:36])[C:37](=[O:38])[NH:39][CH:40]([CH3:41])[C:42](=[O:43])[NH:44][CH:45]([CH2:46][CH2:47][CH2:48][CH3:49])[C:50](=[O:51])[OH:52].[F:3][C:4]([c:5]1[c:6]([C:7]([O:8][C:21](=[O:22])[CH3:23])=[O:9])[c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][cH:12][cH:13]1)([F:18])[F:19]