HRID687792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID33050

1,2-Dichloro-3-isocyanatobenzene

C7H3Cl2NO

结构：CN(C)CCN1CCN(C(=O)c2sc(C(C)(C)C)cc2N)C(C)(C)C1=O

HCID58679123

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCN1CCN(C(=O)c2sc(C(C)(C)C)cc2NC(=O)Nc2cccc(Cl)c2Cl)C(C)(C)C1=O

HCID58679405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7082402900604d9cbe0e47803a1e2b85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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