HRID146968

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-

HCID4641409

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

C10H15N6O+

HCID16228722

1-(2,2,2-Trifluoroethyl)piperidin-4-amine

C7H13F3N2

HCID53223040

6-(3,5-Difluorophenyl)pyridine-3-carboxylic acid

C12H7F2NO2

PRODUCTS

生成物

结构：O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(-c2cc(F)cc(F)c2)nc1

HCID59743839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b9ba814b5cb4a5d97a646852518e7e5
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

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