HRID1556893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID67356609

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCC2(CC1)OCCO2

HCID67354721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77949d023a0a4493a5dc5989930a464d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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