HRID110888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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

HCID68653460

未命名化合物

PRODUCTS

生成物

结构：CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1

HCID59278332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0261048266774c72a47212bc34391c57
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

[CH3:54][S:55](=[O:56])(=[O:57])[c:58]1[n:59][cH:60][cH:61][c:62]([CH:64]([CH2:65][CH3:66])[NH2:67])[cH:63]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[Cl:78][CH2:79][Cl:80].[ClH:53].[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.[Na+:72].[O-:68][C:69]([OH:70])=[O:71].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[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:67][CH:64]([c:62]2[cH:61][cH:60][n:59][c:58]([S:55]([CH3:54])(=[O:56])=[O:57])[cH:63]2)[CH2:65][CH3:66])[cH:6][cH:7]1