HRID184119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID14232

N-Methoxymethylamine

C2H7NO

HCID130500

未命名化合物

HCID2735774

5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid

C5H5ClN2O2

PRODUCTS

生成物

HCID57425021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b26d6c24afab42bf9a02e82ee9b9a7e8
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

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