HRID118904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID79846

Methyl chloroglyoxylate

C3H3ClO3

HCID68414455

未命名化合物

PRODUCTS

生成物

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

HCID178467207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e597ece1f4164727990bcfa7c31dcd99
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

[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:39][N:40]([c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1)[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:22][C:23]([C:24](=[O:25])[O:26][CH3:27])=[O:28].[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].[Cl:36][CH2:37][Cl:38].[ClH: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:23]([C:24](=[O:25])[O:26][CH3:27])=[O:28])[CH2:17][CH2:18]2)[nH:6][c:7]1[CH2:8][CH3:9]