HRID168827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID139882

4-t-Butylbenzenesulfonyl chloride

C10H13ClO2S

结构：NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID333428

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)NCCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

HCID178441110

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b46764bc1c645e889afe96357bee1d9
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

[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:36][cH:37]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([CH2:20][CH2:21][CH2:22][CH2:23][NH2:24])[C:25](=[O:26])[OH:27])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([CH2:20][CH2:21][CH2:22][CH2:23][NH:24][S:38]([c:35]1[cH:34][cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:37][cH:36]1)(=[O:39])=[O:40])[C:25](=[O:26])[OH:27])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1