HRID211732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID787

Hydroxylamine

H3NO

HCID803

Indole-3-pyruvic acid

C11H9NO3

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID1060

Pyruvic acid

C3H4O3

HCID19660

Carbonate

CO3-2

结构：O=C(O)C(=O)CC(O)(Cc1c[nH]c2ccccc12)C(=O)O

HCID10149460

4-hydroxy-4-(3-indolylmethyl)-2-ketoglutaric acid

C14H13NO6

PRODUCTS

生成物

结构：O=C(O)C(CC(O)(Cc1c[nH]c2ccccc12)C(=O)O)=NO

HCID58906082

2-Hydroxy-4-(hydroxyimino)-2-[(1H-indol-3-yl)methyl]pentanedioic acid

C14H14N2O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03ad836a6e314c839314ca25d9ba256b
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

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