HRID1212109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2741287

2-methoxy-4,6-bis(trifluoromethyl)benzoic acid

C10H6F6O3

HCID4641409

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

C10H15N6O+

HCID14350176

2-(Pyrrolidin-1-yl)cyclohexan-1-amine

C10H20N2

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC1CCCCC1N1CCCC1

HCID76683025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ddcf452695f452485d835c1abaa3eae
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

[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:53].[ClH:54].[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[OH:7])[c:8]([O:16][CH3:17])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:18])[F:19].[N:55]1([CH:60]2[CH:61]([NH2:66])[CH2:62][CH2:63][CH2:64][CH2:65]2)[CH2:56][CH2:57][CH2:58][CH2:59]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[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>>[F:1][C:2]([c:3]1[c:4]([C:5](=[O:6])[NH:66][CH:61]2[CH:60]([N:55]3[CH2:56][CH2:57][CH2:58][CH2:59]3)[CH2:65][CH2:64][CH2:63][CH2:62]2)[c:8]([O:16][CH3:17])[cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)([F:18])[F:19]