HRID678606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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+

HCID59197932

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)NC(c1ccccc1)C1(N2CCCC2)COC1

HCID46178961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13a1968916454af6a1044ffcf671458a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[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].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[c:53]1([CH:59]([C:60]2([N:64]3[CH2:65][CH2:66][CH2:67][CH2:68]3)[CH2:61][O:62][CH2:63]2)[NH2:69])[cH:54][cH:55][cH:56][cH:57][cH:58]1.[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:69][CH:59]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[C:60]2([N:64]3[CH2:65][CH2:66][CH2:67][CH2:68]3)[CH2:61][O:62][CH2:63]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]