HRID2310974

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+

HCID45073363

2-(3-Fluorophenyl)pyrimidine-5-carboxylic acid

C11H7FN2O2

HCID68554248

未命名化合物

PRODUCTS

生成物

结构：O=C(NN1CCOc2ccc(F)cc21)c1cnc(-c2cccc(F)c2)nc1

HCID59200070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4434825cbd8482bbf4b9d8d93d30e09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][c:11]1[cH:12][c:13](-[c:17]2[n:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][n:22]2)[cH:14][cH:15][cH:16]1.[F:50][c:51]1[cH:52][cH:53][c:54]2[c:55]([cH:61]1)[N:56]([NH2:60])[CH2:57][CH2:58][O:59]2.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[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>>[F:10][c:11]1[cH:12][c:13](-[c:17]2[n:18][cH:19][c:20]([C:23](=[O:25])[NH:60][N:56]3[c:55]4[c:54]([cH:53][cH:52][c:51]([F:50])[cH:61]4)[O:59][CH2:58][CH2:57]3)[cH:21][n:22]2)[cH:14][cH:15][cH:16]1