HRID1211003

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

HCID62365

Isobutyl chloroformate

C5H9ClO2

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：COC(c1ccc(N(C(=O)OCC(C)C)C(=O)c2c(C)nn(C)c2C)cc1CC(C)C)(C(F)(F)F)C(F)(F)F

HCID86629860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10967528cf4049f28e53548b568f0b38
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

[C:35]([O:36][CH2:37][CH:38]([CH3:39])[CH3:40])(=[O:41])[Cl:42].[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:43].[H-:1].[Na+:2].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]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])[C:35]([O:36][CH2:37][CH:38]([CH3:39])[CH3:40])=[O:41])[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]