HRID1208716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

2 次

HCID77571

4-Bromobenzylamine

C7H8BrN

HCID81531

Diisopropylethylamine

C8H19N

HCID644041

Methanaminium

CH6N+

HCID2773530

2-Chloro-3,6-difluorobenzoic acid

C7H3ClF2O2

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

HCID71150030

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01299176f01a459cb72e5a76242de74d
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

[Br:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][NH2:10])[cH:7][cH:8]1.[CH3:23][NH3+:24].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:11][c:12]1[c:13]([C:14](=[O:15])[OH:16])[c:17]([F:22])[cH:18][cH:19][c:20]1[F:21].[ClH:1].[F:25][P-:26]([F:27])([F:28])([F:29])([F:30])[F:31].[F:49][P-:50]([F:51])([F:52])([F:53])([F:54])[F:55].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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>>[Br:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][NH:10][C:14]([c:13]2[c:12]([Cl:11])[c:20]([F:21])[cH:19][cH:18][c:17]2[F:22])=[O:15])[cH:7][cH:8]1