HRID1227740

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

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+

HCID58126817

2-(Trifluoromethyl)-1H-indole-5-methanamine

C10H9F3N2

HCID58126820

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc2[nH]c(C(F)(F)F)cc2c1)c1ccc(C(F)(F)F)nn1

HCID44462841

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acf327bc446d4f2dab4e5828dfde1c06
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

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