HRID2338774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID58629104

未命名化合物

结构：Cc1ccc(NC(=O)Nc2cn(C)c(C(=O)O)n2)cc1F

HCID59421744

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)NC(=O)c2nc(NC(=O)Nc3ccc(C)c(F)c3)cn2C)cn1

HCID11350803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31f38ed952f64f7ca93f804f58fb55f1
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

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