HRID186465

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

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

2 次

HCID77571

4-Bromobenzylamine

C7H8BrN

HCID644041

Methanaminium

CH6N+

HCID4641409

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

C10H15N6O+

HCID71150039

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc(Cl)c(C(=O)NCc2ccc(Br)cc2)c(Cl)c1

HCID71149974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d05ed2749604a4c9a39ab2656303772
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:18][c:19]1[cH:20][cH:21][c:22]([CH2:25][NH2:26])[cH:23][cH:24]1.[CH3:27][NH3+:28].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([Cl:16])[cH:8][c:9]([O:11][CH2:12][CH2:13][O:14][CH3:15])[cH:10]1.[ClH:17].[F:29][P-:30]([F:31])([F:32])([F:33])([F:34])[F:35].[F:53][P-:54]([F:55])([F:56])([F:57])([F:58])[F:59].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:26][CH2:25][c:22]2[cH:21][cH:20][c:19]([Br:18])[cH:24][cH:23]2)[c:7]([Cl:16])[cH:8][c:9]([O:11][CH2:12][CH2:13][O:14][CH3:15])[cH:10]1