HRID1568867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID18414177

6-Methoxy-8-(piperazin-1-yl)quinoline

C14H17N3O

HCID59204848

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C3CCN(c4ccc(F)c5cccnc45)CC3)CC2)c2ncccc2c1

HCID12004142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e9af8f9472c41819e48b450200168b9
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

[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:15][O:16][c:17]1[cH:18][c:19]2[cH:20][cH:21][cH:22][n:23][c:24]2[c:25]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:26]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:53][CH2:54][Cl:55].[F:33][c:34]1[c:35]2[cH:36][cH:37][cH:38][n:39][c:40]2[c:41]([N:44]2[CH2:45][CH2:46][C:47](=[O:50])[CH2:48][CH2:49]2)[cH:42][cH:43]1.[K+:52].[Na+:14].[OH-:51]>>[CH3:15][O:16][c:17]1[cH:18][c:19]2[cH:20][cH:21][cH:22][n:23][c:24]2[c:25]([N:27]2[CH2:28][CH2:29][N:30]([CH:47]3[CH2:46][CH2:45][N:44]([c:41]4[c:40]5[c:35]([c:34]([F:33])[cH:43][cH:42]4)[cH:36][cH:37][cH:38][n:39]5)[CH2:49][CH2:48]3)[CH2:31][CH2:32]2)[cH:26]1