HRID1567732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID84629

1-Propanamine, 3-chloro-

C3H8ClN

HCID4641409

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

C10H15N6O+

结构：Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)O

HCID59421802

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1C(=O)NCCCCl

HCID59421821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e87ee33d366a4e02afba2cb62ee53477
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][n:2]1[c:3]([C:22](=[O:23])[OH:24])[n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[cH:6]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[Cl:50][CH2:51][CH2:52][CH2:53][NH2:54].[ClH:49].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][n:2]1[c:3]([C:22](=[O:23])[NH:54][CH2:53][CH2:52][CH2:51][Cl:50])[n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[cH:6]1