HRID98391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID88701

1-Phenylpentan-3-one

C11H14O

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4N)cc3)cc2)CC1

HCID66577195

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(CC)CCc4ccccc4)cc3)cc2)CC1

HCID66582104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-899ead5f3128453f97122168c3de3349
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]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH2:27])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1.[c:28]1([CH2:34][CH2:35][C:36]([CH2:37][CH3:38])=[O:39])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([c:9]2[cH:10][cH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([NH:27][CH:36]([CH2:35][CH2:34][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[CH2:37][CH3:38])[c:23]([CH3:26])[n:24][o:25]4)[cH:19][cH:20]3)[cH:13][cH:14]2)[CH2:7][CH2:8]1