HRID186895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8003

Pentane

C5H12

HCID23994

Zinc

结构：CC(=O)OC(C1C(C(=O)OCc2cccc(-c3ccccc3)c2C)C1(C)C)C(Cl)(Cl)C(F)(F)F

HCID13933704

未命名化合物

PRODUCTS

生成物

结构：Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1

HCID54901

2-Methyl-3-phenylbenzyl 3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate

C23H22ClF3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-403983e160d24dac98919019e20a1570
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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