HRID94751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID974

Oxamic acid

C2H3NO3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID68414455

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(C(=O)C(N)=O)CCC1NC(=O)c1nc(Cl)c(CC)[nH]1

HCID68417257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e62ce5b3198142f7b4af24231e478bfb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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