HRID939091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

HCID256411

未命名化合物

HCID10219638

di-tert-butylcarbonate

C9H18O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

HCID89557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c5c5f7de0924757ae1caa0a8ee3d28c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[S:20][CH2:21][CH:22]([NH2:23])[C:24](=[O:25])[OH:26].[C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])([O:35][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:36].[Na+:28].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH-:27].[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[S:20][CH2:21][CH:22]([NH:23][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[C:24](=[O:25])[OH:26]