HRID1140462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：COc1ccc(C=Nc2cccc3[nH]c(=O)ccc23)c(F)c1

HCID68737668

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1ccc(C(Nc2cccc3[nH]c(=O)ccc23)C2(C(F)(F)F)CO2)c(F)c1

HCID86630555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb795f2db637451f91b9034b17f0012b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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