HRID1224704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID280454

Methyl 4-isocyanatobenzoate

C9H7NO3

结构：CC(C)Oc1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1

HCID67021898

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC(C)C)nc(N4CCOCC4)n3)cc2)cc1

HCID44517287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-314a46bef141449fb34c6009be78b47b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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