HRID187671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID76704

4-Ethylpiperidine

C7H15N

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(CCCc1ccc(N)nc1)C(=O)O

HCID23448094

未命名化合物

PRODUCTS

生成物

结构：CCC1CCNCC1C(=O)C(CCCc1ccc(N)nc1)NC(=O)OC(C)(C)C

HCID178436761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5668d653352642cda648669f2e3f7031
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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