HRID1128550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

HCID58975488

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

C13H14FN3

HCID59204842

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(N2CCN(C3CCN(c4cccc5cccnc45)CC3)CC2)c2ncccc2c1

HCID12004112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73d49e9c4aed4653885bdd2aa355faf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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