HRID2343712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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+

HCID43106828

未命名化合物

结构：O=C(O)c1cc(-c2ccc(F)cc2)c(=O)n(-c2ccccn2)c1

HCID67339372

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C(C)NC(=O)c2cc(-c3ccc(F)cc3)c(=O)n(-c3ccccn3)c2)n1

HCID178434771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1482a05f8ded47169a249a8246c1b912
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

[CH3:25][c:26]1[n:27][o:28][c:29]([CH:31]([CH3:32])[NH2:33])[n:30]1.[CH:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[ClH:24].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](=[O:23])[n:10](-[c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[cH:11][c:12]([C:14](=[O:15])[OH:16])[cH:13]2)[cH:6][cH:7]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](=[O:23])[n:10](-[c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[cH:11][c:12]([C:14](=[O:15])[NH:33][CH:31]([c:29]3[o:28][n:27][c:26]([CH3:25])[n:30]3)[CH3:32])[cH:13]2)[cH:6][cH:7]1