HRID2339814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COc1ccc2c(c1)CCC1C2CCC2(C)C(=O)C=CC12

HCID624677

未命名化合物

HCID2758305

Phosphonic acid, (difluoromethyl)-, diethyl ester

C5H11F2O3P

HCID5062348

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCC1C2CCC2(C)C(=C(F)F)C=CC12

HCID178487059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10b93481c55b43768fa5f2f98a92eabf
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

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