HRID689887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

O-benzotriazol-1-yl-tetramethyluronium

C11H16N5O+

HCID251763

4-amino-1,2,5-thiadiazole-3-carboxylic acid

C3H3N3O2S

HCID2779286

3-Bromo-4-fluoroaniline

C6H5BrFN

PRODUCTS

产物

HCID58558244

4-Amino-N-(3-bromo-4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide

C9H6BrFN4OS

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-cdc29e7fad774cbab6384e8aaa1ec5a9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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