HRID306154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID59278137

1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid

C13H8FN3O2

结构：CCC(N)C1CCN(C(=O)OCc2ccccc2)C(C(N)=O)C1

HCID77181071

未命名化合物

PRODUCTS

生成物

结构：CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C1CCN(C(=O)OCc2ccccc2)C(C(N)=O)C1

HCID68569735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96c034eed39e4a9282d7521fb6389fd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[O:60][C:61](=[O:62])[N:63]1[CH:64]([C:73]([NH2:74])=[O:75])[CH2:65][CH:66]([CH:69]([CH2:70][CH3:71])[NH2:72])[CH2:67][CH2:68]1.[CH3:81][CH2:82][O:83][C:84]([CH3:85])=[O:86].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[c:12]2[cH:13][n:14][cH:15][c:16]3[C:17](=[O:18])[OH:19])[cH:6][cH:7]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[c:12]2[cH:13][n:14][cH:15][c:16]3[C:17](=[O:19])[NH:72][CH:69]([CH:66]2[CH2:65][CH:64]([C:73]([NH2:74])=[O:75])[N:63]([C:61]([O:60][CH2:53][c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)=[O:62])[CH2:68][CH2:67]2)[CH2:70][CH3:71])[cH:6][cH:7]1