HRID1232018

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-

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID596118

[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

C7H7F3N2O2

HCID644041

Methanaminium

CH6N+

HCID4641409

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

C10H15N6O+

HCID57880398

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)c1

HCID66973344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d28438a5f524844bf35167dc944f657
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

[CH2:58]([CH3:59])[O:60][C:61]([c:62]1[cH:63][c:64]([CH:68]2[CH2:69][CH2:70][NH:71][CH2:72][CH2:73]2)[cH:65][cH:66][cH:67]1)=[O:74].[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:9])[OH:10].[CH3:24][NH3+:25].[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[ClH:57].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][c:2]1[cH:3][c:4]([C:11]([F:12])([F:13])[F:14])[n:5][n:6]1[CH2:7][C:8](=[O:10])[N:71]1[CH2:70][CH2:69][CH:68]([c:64]2[cH:63][c:62]([C:61]([O:60][CH2:58][CH3:59])=[O:74])[cH:67][cH:66][cH:65]2)[CH2:73][CH2:72]1