HRID672003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID5360545

Sodium

HCID11458178

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

C11H14N2O

HCID12044958

未命名化合物

PRODUCTS

生成物

结构：CCCC(Oc1ccc2ccncc2c1)C(=O)Nc1ccc(N2CCCCC2=O)cc1

HCID12044955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a119454058c4fe7b9476b0c0604ee00
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

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