HRID190163

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+

HCID5206832

5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

C10H8FN3O2

HCID24809750

未命名化合物

PRODUCTS

生成物

结构：Nc1c(C(=O)NCC(O)(CO)C(F)(F)F)cnn1-c1ccc(F)cc1

HCID59187226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d575ad409e844b3b661a22f14aa54b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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