HRID293614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID5526

4-(Aminomethyl)-cyclohexanecarboxylic acid

C8H15NO2

HCID6342

Acetonitrile

C2H3N

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

结构：CC(C)C(=O)OCCOC(=O)Oc1ccc(S(C)(=O)=O)cc1

HCID67352456

未命名化合物

PRODUCTS

生成物

HCID123350

4-Hydroxyphenyl methyl sulfone

C7H8O3S

结构：CC(C)C(=O)OCCOC(=O)NCC1CCC(C(=O)O)CC1

HCID67294307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc8eff17522b4e59a232b570a49786dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:12](=[O:13])([O-:14])[O-:15].[CH3:18][CH:19]([C:20](=[O:21])[O:22][CH2:23][CH2:24][O:25][C:26](=[O:27])[O:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[CH3:38])[cH:33][cH:34]1)[CH3:39].[CH3:45][C:46]#[N:47].[CH3:48][O:49][C:50]([CH3:51])([CH3:52])[CH3:53].[K+:16].[K+:17].[NH2:1][CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]([C:9](=[O:10])[OH:11])[CH2:7][CH2:8]1.[OH2:54].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[NH:1]([CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]([C:9](=[O:10])[OH:11])[CH2:7][CH2:8]1)[C:26]([O:25][CH2:24][CH2:23][O:22][C:20]([CH:19]([CH3:18])[CH3:39])=[O:21])=[O:27].[OH:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[CH3:38])[cH:33][cH:34]1