HRID297313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID153040

Phenol, 4-(3-pyridinyl)-

C11H9NO

结构：CC(NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID76569243

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cc(Cl)cnc1Oc1ccc(-c2cccnc2)cc1)c1ccc(C(=O)OC(C)(C)C)cc1

HCID178464836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4eb51be797d43f1b2357d6a29628b63
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

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