HRID2139540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13637622

1,3,5-Trimethyl-1H-pyrazole-4-carbonyl chloride

C7H9ClN2O

结构：COC(c1ccc(N)cc1CC(C)C)(C(F)(F)F)C(F)(F)F

HCID86619003

未命名化合物

PRODUCTS

生成物

结构：COC(c1ccc(NC(=O)c2c(C)nn(C)c2C)cc1CC(C)C)(C(F)(F)F)C(F)(F)F

HCID86629858

1,3,5-Trimethyl-N-[3-(2-methylpropyl)-4-[2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl]phenyl]-1H-pyrazole-4-carboxamide

C21H25F6N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58ab4b1fb2c94777994dc75844f2bf4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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