HRID694403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID10001

1-Propanamine, 3,3,3-trifluoro- (9CI)

C3H6F3N

HCID130500

未命名化合物

HCID314992

5-(methoxycarbonyl)pyridine-2-carboxylic acid

C8H7NO4

PRODUCTS

生成物

HCID59354919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-700c4540e2a443cf88f27b6a837b58bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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