HRID1231158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(Br)cc2nc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12

HCID57917093

未命名化合物

HCID178418306

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc2nc(-c3ccc(NC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12

HCID57917172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44a3706e634c490a979fc2724c79ba2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH3:37])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][N:19]4[CH2:20][CH2:21][N:22]([c:25]5[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]5)[CH2:23][CH2:24]4)=[O:35])[cH:14][cH:15]3)[o:9]2)[cH:36]1.[C:43]([Li:44])([CH3:45])([CH3:46])[CH3:47].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:48][C:49](=[O:50])[CH3:51].[CH:39]([Mg+:40])([CH3:41])[CH3:42].[Cl-:38]>>[cH:2]1[cH:3][c:4]([CH3:37])[c:5]2[c:6]([n:7][c:8](-[c:10]3[cH:11][cH:12][c:13]([NH:16][C:17]([CH2:18][N:19]4[CH2:20][CH2:21][N:22]([c:25]5[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]5)[CH2:23][CH2:24]4)=[O:35])[cH:14][cH:15]3)[o:9]2)[cH:36]1