HRID2340301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID58879956

未命名化合物

HCID58879972

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1cc(Oc2ccc(C(=O)Nc3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccn1

HCID58879980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f766a5f72888430ebf6b8beee1e78843
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

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