HRID166168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID125

4-Hydroxybenzenemethanol

C7H8O2

结构：Cc1ccc(S(=O)(=O)OCCCNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID86625867

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)C(NCCCOc2ccc(CO)cc2)=C(c2ccccc2)S1(=O)=O

HCID11590378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e872327c5284bda92d313441835dd41
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:10][c:11]1[cH:12][cH:13][c:14]([S:15]([O:16][CH2:21][CH2:22][CH2:23][NH:24][C:25]2=[C:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[S:28](=[O:36])(=[O:37])[N:27]([C:38]([CH3:39])([CH3:40])[CH3:41])[C:26]2=[O:42])(=[O:17])=[O:18])[cH:19][cH:20]1.[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([OH:9])[cH:7][cH:8]1>>[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:9][CH2:21][CH2:22][CH2:23][NH:24][C:25]2=[C:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[S:28](=[O:36])(=[O:37])[N:27]([C:38]([CH3:39])([CH3:40])[CH3:41])[C:26]2=[O:42])[cH:7][cH:8]1