HRID213428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID248485

NSC65650

C9H14N2O

结构：Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID58978369

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(CC(=O)N(CCCO)Cc2ccccn2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID58978403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7f404b7f9e644e7a40687e21917b2d8
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

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