HRID124330

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

HCID29877

3-Aminophenyl dimethylcarbamate

C9H12N2O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(C)(C)OC(=O)N1CCC(CNC(=O)OCc2ccccc2)(C(=O)O)CC1

HCID67036872

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)Oc1cccc(NC(=O)C2(CNC(=O)OCc3ccccc3)CCN(C(=O)OC(C)(C)C)CC2)c1

HCID68991379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a62580b78b4421a8d257242ee58e873
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

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