HRID2326663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COc1ccc(C(CCCCCC(=O)O)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1

HCID15622821

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(CCCCCC(=O)NO)C2=C(C)C(=O)C(C)=C(C)C2=O)cc1

HCID15622822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ea9cabb14e24721ba34396fd3199f1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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