HRID214407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID11086788

3-Bromo-5-(trifluoromethyl)benzoic acid

C8H4BrF3O2

结构：Cc1cc2c(cn1)cc(-c1cc(N)ccc1C)c(=O)n2C

HCID59212310

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc(Br)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C

HCID59212506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd19072eba1b42aa853d71a93449c742
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:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1.[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[NH2:48][c:49]1[cH:50][cH:51][c:52]([CH3:68])[c:53](-[c:55]2[c:56](=[O:67])[n:57]([CH3:66])[c:58]3[cH:59][c:60]([CH3:65])[n:61][cH:62][c:63]3[cH:64]2)[cH:54]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:48][c:49]2[cH:50][cH:51][c:52]([CH3:68])[c:53](-[c:55]3[c:56](=[O:67])[n:57]([CH3:66])[c:58]4[cH:59][c:60]([CH3:65])[n:61][cH:62][c:63]4[cH:64]3)[cH:54]2)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1