HRID670255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID459610

4-Chloro-6,7-dimethoxyquinoline

C11H10ClNO2

HCID136070703

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(-c4ccc(Nc5ccccc5)nn4)cc3)c2cc1OC

HCID11857506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-573e422f4ca042dfa2eac819a223d974
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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