HRID1229355

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-

HCID2768923

Hydroxylamine, O-(1-methylethyl)-

C3H9NO

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

HCID91291035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc885381c0364d25bb655396baaa36a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:29]([CH3:30])([CH3:31])[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:23])[NH:33][O:32][CH:29]([CH3:30])[CH3:31])[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