HRID1114525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7401

4-Methoxybenzenesulphonyl chloride

C7H7ClO3S

HCID31275

1,4-Dioxane

C4H8O2

HCID5058362

4-[(Benzyloxy)carbonyl]piperazine-2-carboxylic acid

C13H16N2O4

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2C(=O)O)cc1

HCID18675481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1610a375f7f54a9c868784915d81e1af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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