HRID210921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID8857

Ethyl acetate

C4H8O2

HCID15176238

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)NC2(C(=O)OCc3ccccc3)CCCCC2)cc1

HCID23297905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01b2fb65cd7546aaaa4f08dfd245b8ba
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

[CH3:30][O:31][c:32]1[cH:33][cH:34][c:35]([S:38](=[O:39])(=[O:40])[Cl:41])[cH:36][cH:37]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[NH2:12][C:13]1([C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[OH2:29].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:12]([C:13]1([C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[S:38]([c:35]1[cH:34][cH:33][c:32]([O:31][CH3:30])[cH:37][cH:36]1)(=[O:39])=[O:40]