HRID1209584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID5206832

5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

C10H8FN3O2

HCID57444993

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1ccccc1)CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F

HCID59187235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-269d782206ab47e8a6fc3c745ce6c2c6
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

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