HRID194859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14268442

1-(3-Methylphenyl)butane-1,3-dione

C11H12O2

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

HCID18376304

未命名化合物

PRODUCTS

生成物

结构：CC(=CC(=O)c1cccc(C)c1)NC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O

HCID178450138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c87666b4a4c4667aaec610dc6f24400
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:28][c:29]1[cH:30][c:31]([C:35]([CH2:36][C:37]([CH3:38])=[O:39])=[O:40])[cH:32][cH:33][cH:34]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:37](=[CH:36][C:35]([c:31]1[cH:30][c:29]([CH3:28])[cH:34][cH:33][cH:32]1)=[O:40])[CH3:38]