HRID191508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11892

Benzoic acid, 2,5-dimethyl-

C9H10O2

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID66616591

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cc(C)ccc4C)CC3)C(=O)C2(C)C)c2c1OC(C)(C)C2

HCID67364501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f94f499b6584841a63fd3d121202463
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

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