HRID943675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：CCCCCCCOc1ccc(CCC(C)(C=O)NC(=O)OC(C)(C)C)cc1

HCID58972205

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCOc1ccc(CCC(C)(NC(=O)OC(C)(C)C)C(=O)O)cc1

HCID68583036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-470e580189f340d0aca76074cb1f5057
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:15][cH:16]1)([CH3:25])[CH:26]=[O:27])=[O:28].[CH3:29][C:30](=[CH:31][CH3:32])[CH3:33].[CH3:39][C:40]([OH:41])([CH3:42])[CH3:43].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl+:34]([O-:35])[O-:36].[ClH:38].[K+:49].[Na+:37].[P:44]([O-:45])([OH:46])([OH:47])=[O:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:15][cH:16]1)([CH3:25])[C:26](=[O:27])[OH:35])=[O:28]