HRID810324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID74866

3-Methoxyphenylethylamine

C9H13NO

HCID130500

未命名化合物

HCID23067883

4-(1,1,2,2,2-Pentafluoroethyl)benzoic acid

C9H5F5O2

PRODUCTS

生成物

结构：COc1cccc(CCNC(=O)c2ccc(C(F)(F)C(F)(F)F)cc2)c1

HCID86615231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b38b558d9197425eaefc3162826ba26f
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

[CH3:17][O:18][c:19]1[cH:20][c:21]([CH2:25][CH2:26][NH2:27])[cH:22][cH:23][cH:24]1.[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]1)[F:16].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][cH:9][c:10]([C:11](=[O:13])[NH:27][CH2:26][CH2:25][c:21]2[cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23][cH:22]2)[cH:14][cH:15]1)[F:16]