HRID125600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23994

Zinc

结构：Cc1c(COC(=O)C2C(C(OC(=O)c3ccccc3)C(Cl)(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1

HCID13956721

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-6d85a59f7487457199ac1d2added5ff0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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