HRID2124680

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

HCID4641409

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

C10H15N6O+

HCID5302743

1-[(2,4-Dichlorophenyl)methyl]-1H-pyrazol-3-amine

C10H9Cl2N3

HCID20111879

3,5-Difluoropyridine-4-carboxylic acid

C6H3F2NO2

PRODUCTS

生成物

结构：O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1c(F)cncc1F

HCID46947748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58987d3a30294f59918964bba4b2bfd7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:45][c:46]1[c:47]([CH2:53][n:54]2[n:55][c:56]([NH2:59])[cH:57][cH:58]2)[cH:48][cH:49][c:50]([Cl:52])[cH:51]1.[F:1][c:2]1[cH:3][n:4][cH:5][c:6]([F:11])[c:7]1[C:8](=[O:9])[OH:10].[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[n:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[F:1][c:2]1[cH:3][n:4][cH:5][c:6]([F:11])[c:7]1[C:8](=[O:10])[NH:59][c:56]1[n:55][n:54]([CH2:53][c:47]2[c:46]([Cl:45])[cH:51][c:50]([Cl:52])[cH:49][cH:48]2)[cH:58][cH:57]1