HRID1205765

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+

HCID58447663

未命名化合物

HCID58447677

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccc(-c2ccnc(F)c2)c(F)c1)Nc1ccc(-c2cccnn2)cn1

HCID58447866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5265ebe366b94b1689c759725d1b8aac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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