HRID168623

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

HCID105097

5-Phenyl-2-pyridinamine

C11H10N2

HCID4641409

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

C10H15N6O+

HCID26986360

4-Bromo-3-(trifluoromethyl)benzeneacetic acid

C9H6BrF3O2

PRODUCTS

生成物

结构：O=C(Cc1ccc(Br)c(C(F)(F)F)c1)Nc1ccc(-c2ccccc2)cn1

HCID68247166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fecfd7be871b4aeb8dd6e6019015d830
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[c:16]1(-[c:22]2[cH:23][cH:24][c:25]([NH2:28])[n:26][cH:27]2)[cH:17][cH:18][cH:19][cH:20][cH:21]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>>[Br:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([CH2:8][C:9](=[O:11])[NH:28][c:25]2[cH:24][cH:23][c:22](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:27][n:26]2)[cH:6][cH:7]1