HRID2340633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID18523

Chloromethyl ethyl ether

C3H7ClO

HCID166653

Hydride

H-

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

PRODUCTS

生成物

结构：CCOCN(C(=O)c1c(C)nn(C)c1C)c1ccc(C(OC)(C(F)(F)F)C(F)(F)F)c(CC(C)C)c1

HCID86629859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0dca0e0857f4432d9eef4ab5b193dea8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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