HRID170728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID84468

Trifluoroacetate

C2F3O2-

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

HCID18423820

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

HCID178427454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-512ddd57f0a94594b9e2d1624cb8a28f
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

[CH3:34][c:35]1[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]1.[O-:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33].[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][NH2:23])[C:24](=[O:25])[OH:26])[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][NH:23][S:41]([c:38]1[cH:37][cH:36][c:35]([CH3:34])[cH:40][cH:39]1)(=[O:42])=[O:43])[C:24](=[O:25])[OH:26])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1