HRID302151

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+

HCID61699985

未命名化合物

HCID68552175

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ncccn2)ncc1C(=O)Nn1cc(C)c2nc(F)ccc21

HCID59200037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35a63737ad4149cfabeb83c13124bf98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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