HRID292827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6569

Methyl ethyl ketone

C4H8O

HCID7672

Phenyl isocyanate

C7H5NO

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID15239974

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(NC(=O)Nc2ccccc2)ccc1Oc1nc(OC)cc(OC)n1

HCID15239976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a69a66d55f8442e8fca99a52571e00f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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