HRID2350769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID148683

5-Quinolinamine, 2-methyl-

C10H10N2

结构：COc1ccc(F)cc1C(C)(C)CC(O)(C(C)=O)C(F)(F)F

HCID21948828

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)cc1C(C)(C)CC(O)(C(C)=Nc1cccc2nc(C)ccc12)C(F)(F)F

HCID21948924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7fe4a7f914b47dd96d7fb1e490a315e
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

[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl-:35].[F:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH3:22])[c:6]([C:8]([CH2:9][C:10]([C:11]([CH3:12])=[O:13])([C:14]([F:15])([F:16])[F:17])[OH:18])([CH3:19])[CH3:20])[cH:7]1.[NH2:23][c:24]1[c:25]2[cH:26][cH:27][c:28]([CH3:34])[n:29][c:30]2[cH:31][cH:32][cH:33]1.[Na+:36].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH3:22])[c:6]([C:8]([CH2:9][C:10]([C:11]([CH3:12])=[N:23][c:24]2[c:25]3[cH:26][cH:27][c:28]([CH3:34])[n:29][c:30]3[cH:31][cH:32][cH:33]2)([C:14]([F:15])([F:16])[F:17])[OH:18])([CH3:19])[CH3:20])[cH:7]1