HRID193462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID17455254

1-[(2-Furanylcarbonyl)amino]cyclohexanecarboxylic acid

C12H15NO4

HCID21874161

tert-Butyl 4-amino-3-hydroxypiperidine-1-carboxylate

C10H20N2O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)C2(NC(=O)c3ccco3)CCCCC2)C(O)C1

HCID69310307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36b8f082026343bfb5c78675f87c1131
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

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