HRID109602

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-

HCID420841

o-Allylhydroxylamine

C3H7NO

HCID4641409

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

C10H15N6O+

结构：O=C(O)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1

HCID69352963

未命名化合物

PRODUCTS

生成物

结构：C=CCONC(=O)c1ccccc1Nc1ccc2c(C=Cc3ccccn3)n[nH]c2c1

HCID90932702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ed7860f58a44e6b848d7f2e6051c20d
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

[CH2:29]([CH:30]=[CH2:31])[O:32][NH2:33].[ClH:28].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:1]1[c:2]([CH:7]=[CH:8][c:9]2[n:10][nH:11][c:12]3[cH:13][c:14]([NH:18][c:19]4[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26][cH:27]4)[cH:15][cH:16][c:17]23)[cH:3][cH:4][cH:5][cH:6]1.[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>>[n:1]1[c:2]([CH:7]=[CH:8][c:9]2[n:10][nH:11][c:12]3[cH:13][c:14]([NH:18][c:19]4[c:20]([C:21](=[O:22])[NH:33][O:32][CH2:29][CH:30]=[CH2:31])[cH:24][cH:25][cH:26][cH:27]4)[cH:15][cH:16][c:17]23)[cH:3][cH:4][cH:5][cH:6]1