HRID1548190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

HCID459610

4-Chloro-6,7-dimethoxyquinoline

C11H10ClNO2

HCID57445394

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccccc5)nc4)cc3F)c2cc1OC

HCID24865422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f4fd2d5fdfd4d0f986e4614e48e3350
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[F:16][c:17]1[c:18]([OH:36])[cH:19][cH:20][c:21](-[c:23]2[cH:24][n:25][c:26]([NH:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[n:27][cH:28]2)[cH:22]1.[Na+:59].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH-:58].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[c:2]1([O:36][c:18]2[c:17]([F:16])[cH:22][c:21](-[c:23]3[cH:24][n:25][c:26]([NH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[n:27][cH:28]3)[cH:20][cH:19]2)[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12