HRID116623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID29877

3-Aminophenyl dimethylcarbamate

C9H12N2O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COCCOC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1

HCID67036778

未命名化合物

PRODUCTS

生成物

结构：COCCOC1(C(=O)Nc2cccc(OC(=O)N(C)C)c2)CCN(C(=O)OC(C)(C)C)CC1

HCID67036832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5a143e4b66e40709cc9c668a324a91f
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

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