HRID835386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID170561

Ethanol, 2-[(3-nitrophenyl)sulfonyl]-

C8H9NO5S

HCID22479336

6-[2-(3,5-Dimethylphenoxy)acetamido]hexanoic acid

C16H23NO4

PRODUCTS

生成物

结构：Cc1cc(C)cc(OCC(=O)NCCCCCC(=O)OCCS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

HCID69557237

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a640b9f6b5d45a7b47b774203b44cc4
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][c:2]1[cH:3][c:4]([O:5][CH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[cH:18][c:19]([CH3:21])[cH:20]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][c:27]([S:31](=[O:32])(=[O:33])[CH2:34][CH2:35][OH:36])[cH:28][cH:29][cH:30]1.[OH2:37].[OH2:49].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[CH3:1][c:2]1[cH:3][c:4]([O:5][CH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]([O:16][CH2:35][CH2:34][S:31]([c:27]2[cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:30][cH:29][cH:28]2)(=[O:32])=[O:33])=[O:17])[cH:18][c:19]([CH3:21])[cH:20]1