HRID313973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID77640

1-(4-Methoxyphenyl)butane-1,3-dione

C11H12O3

结构：Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(N)C(=O)O)cc1

HCID18376304

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)C=C(C)NC(Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)C(=O)O)cc1

HCID178491457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ca3d0b37de9417f9284e8f4fffb4e98
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

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