HRID192919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID166653

Hydride

H-

HCID22936418

4-Chloro-7-methoxyquinoline-6-carboxamide

C11H9ClN2O2

HCID22936763

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(N(C)C(=O)Nc4ccc(F)cc4)c(F)c3)c2cc1C(N)=O

HCID58930896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94e4532903f44434a733cccef63f82eb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([Cl:16])[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH3:15].[CH3:40][S:41]([CH3:42])=[O:43].[F:17][c:18]1[c:19]([N:25]([C:26](=[O:27])[NH:28][c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)[CH3:36])[cH:20][cH:21][c:22]([OH:24])[cH:23]1.[H-:37].[Na+:38].[OH2:39]>>[C:1]([NH2:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([O:24][c:22]3[cH:21][cH:20][c:19]([N:25]([C:26](=[O:27])[NH:28][c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[CH3:36])[c:18]([F:17])[cH:23]3)[cH:8][cH:9][n:10][c:11]2[cH:12][c:13]1[O:14][CH3:15]