HRID199363

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：CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccc(F)cc2)=C(C)C1=O

HCID15616468

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C)C(=O)C(C(CCCCCC(=O)NO)c2ccc(F)cc2)=C(C)C1=O

HCID15622824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7807f88552644801a02eb49bba256dc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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