HRID829434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID9971

Benzoic acid, 4-amino-3-fluoro-

C7H6FNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID28917627

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CNC(=O)c1ccc(N)c(F)c1)Oc1ccc(F)cc1

HCID57732241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816c4daab34448bebdc7459a36cefdcd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[F:50][c:51]1[cH:52][cH:53][c:54]([O:55][C:56]([CH2:57][NH2:58])([CH3:59])[CH3:60])[cH:61][cH:62]1.[NH2:1][c:2]1[c:3]([F:11])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[P-:12]([F:13])([F:14])([F:15])([F:16])([F:17])[F:18].[n:19]1([O:20][C:21]([N:22]([CH3:23])[CH3:24])=[N+:25]([CH3:26])[CH3:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[NH2:1][c:2]1[c:3]([F:11])[cH:4][c:5]([C:6](=[O:8])[NH:58][CH2:57][C:56]([O:55][c:54]2[cH:53][cH:52][c:51]([F:50])[cH:62][cH:61]2)([CH3:59])[CH3:60])[cH:9][cH:10]1