HRID1210721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1672

3-Methoxypropylamine

C4H11NO

结构：COCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(OCCCCCC(=O)OC)cc21

HCID10226886

未命名化合物

PRODUCTS

生成物

结构：COCCCNC(=O)CCCCCOc1ccc2nc(-c3ccc(C(C)(C)C)cc3)n(CCCOC)c2c1

HCID10142914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce3bb4befa864761b0183d9c4c6d3745
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[c:14]([n:15]2[CH2:16][CH2:17][CH2:18][O:19][CH3:20])[cH:21][c:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[cH:23][cH:24]3)[cH:9][cH:10]1.[CH3:35][O:36][CH2:37][CH2:38][CH2:39][NH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[c:14]([n:15]2[CH2:16][CH2:17][CH2:18][O:19][CH3:20])[cH:21][c:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31](=[O:32])[NH:40][CH2:39][CH2:38][CH2:37][O:36][CH3:35])[cH:23][cH:24]3)[cH:9][cH:10]1