HRID1540456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID118889

Benzenamine, 3-iodo-4-methyl- (9CI)

C7H8IN

HCID236985

2-Chloroisonicotinic acid

C6H4ClNO2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

HCID21914557

2-Chloro-N-(3-iodo-4-methylphenyl)pyridine-4-carboxamide

C13H10ClIN2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb441c78e54b4284b8d61e74f0cfaa35
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

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