HRID1114284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

结构：O=C(O)CCCCCCC1=C(C=Cc2ccccc2)C(O)CC1=O

HCID68135699

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCCCCCC1=C(C=Cc2ccccc2)C(O)CC1=NO

HCID73794979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c7add9993844a9eb8eb1b7c45007340
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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