HRID153568

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

HCID86619004

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c(C)c1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)c(CC(C)C)c1

HCID86629861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bdd14cd2fd2415ca543381a21356ced
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

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