HRID101135

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+

HCID61702587

未命名化合物

HCID68555233

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(C)c2ncccc21

HCID59200017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e63eb44d99845d4818aafb8dd6d5e35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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