HRID114720

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-

HCID67695

[3-(Trifluoromethyl)phenyl]acetic acid

C9H7F3O2

HCID130500

未命名化合物

HCID14774186

1-[4-(Pentafluoroethyl)phenyl]methanamine

C9H8F5N

PRODUCTS

生成物

结构：O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(C(F)(F)C(F)(F)F)cc1

HCID86615229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b18a24d47c9473b8ffdbee81173f045
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:30][N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[F:16][C:17]([c:18]1[cH:19][c:20]([CH2:24][C:25](=[O:26])[OH:27])[cH:21][cH:22][cH:23]1)([F:28])[F:29].[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][cH:9][c:10]([CH2:11][NH2:12])[cH:13][cH:14]1)[F:15].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([c:7]1[cH:8][cH:9][c:10]([CH2:11][NH:12][C:25]([CH2:24][c:20]2[cH:19][c:18]([C:17]([F:16])([F:28])[F:29])[cH:23][cH:22][cH:21]2)=[O:26])[cH:13][cH:14]1)[F:15]