HRID1574388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID19660

Carbonate

CO3-2

HCID11458178

1-(4-aminophenyl)piperidin-2-one

C11H14N2O

结构：Cc1nc(-c2cccc(OC(C(=O)O)c3ccccc3)c2)no1

HCID12042530

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cccc(OC(C(=O)Nc3ccc(N4CCCCC4=O)cc3)c3ccccc3)c2)no1

HCID12042531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a125c38adc714df589eadef693fa76a0
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

[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[CH3:8][c:9]1[n:10][c:11](-[c:14]2[cH:15][c:16]([O:17][CH:18]([C:19](=[O:20])[OH:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:28][cH:29][cH:30]2)[n:12][o:13]1.[ClH:45].[NH2:31][c:32]1[cH:33][cH:34][c:35]([N:38]2[C:39](=[O:44])[CH2:40][CH2:41][CH2:42][CH2:43]2)[cH:36][cH:37]1.[Na+:68].[Na+:69].[O-:70][C:71](=[O:72])[O-:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH2:57].[OH:58][c:59]1[c:60]2[n:61][n:62][nH:63][c:64]2[cH:65][cH:66][cH:67]1>>[CH3:8][c:9]1[n:10][c:11](-[c:14]2[cH:15][c:16]([O:17][CH:18]([C:19](=[O:21])[NH:31][c:32]3[cH:33][cH:34][c:35]([N:38]4[C:39](=[O:44])[CH2:40][CH2:41][CH2:42][CH2:43]4)[cH:36][cH:37]3)[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:28][cH:29][cH:30]2)[n:12][o:13]1