HRID89793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11267141

未命名化合物

HCID58694606

6'-Chloro-N,2-dimethyl[3,4'-bipyridin]-3'-amine

C12H12ClN3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1ncccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID21083635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5940e656c63345acb70941c5abec8d51
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

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