HRID2149967

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID53440014

4-Chloro-5-methylpyridine-2-carboxylic acid

C7H6ClNO2

HCID58102966

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(C(=O)Nc2cccc(-c3nncn3C3CC3)n2)cc1Cl

HCID58102995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2370af679e004cbe8608059db50a1a97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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