HRID1556718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID11182888

1-(3,4-difluorophenyl)propan-2-amine

C9H11F2N

HCID46935186

4-Amino-2-(trifluoromethyl)pyridine-3-carboxylic acid

C7H5F3N2O2

PRODUCTS

生成物

结构：CC(Cc1ccc(F)c(F)c1)NC(=O)c1c(N)ccnc1C(F)(F)F

HCID59553882

4-Amino-N-[2-(3,4-difluorophenyl)-1-methylethyl]-2-(trifluoromethyl)-3-pyridinecarboxamide

C16H14F5N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aba7f19774c74b879741331a51a13919
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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