HRID2320052

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-

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+

HCID11195002

未命名化合物

HCID58298465

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)Cn1cnc2cccc(C#N)c21)c1ccc(C(C)(C)C#N)c(F)c1

HCID59804263

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73727dec24244840b17ff80805872228
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:17](#[N:18])[c:19]1[cH:20][cH:21][cH:22][c:23]2[c:24]1[n:25]([CH2:28][C:29](=[O:30])[OH:31])[cH:26][n:27]2.[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[ClH:1].[NH2:2][CH:3]([CH3:4])[c:5]1[cH:6][c:7]([F:16])[c:8]([C:11]([C:12]#[N:13])([CH3:14])[CH3:15])[cH:9][cH:10]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[NH:2]([CH:3]([CH3:4])[c:5]1[cH:6][c:7]([F:16])[c:8]([C:11]([C:12]#[N:13])([CH3:14])[CH3:15])[cH:9][cH:10]1)[C:29]([CH2:28][n:25]1[c:24]2[c:19]([C:17]#[N:18])[cH:20][cH:21][cH:22][c:23]2[n:27][cH:26]1)=[O:30]