HRID282799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID738

DL-Glutamine

C5H10N2O3

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID28123

Tetrahydroborate

H4B-

HCID326664

N-(2-formylphenyl)acetamide

C9H9NO2

PRODUCTS

生成物

结构：CC(=O)Nc1ccccc1CN(C(=O)OCc1ccccc1)C(CCC(N)=O)C(=O)O

HCID178474112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57551488090e44689bec1b3fcccd42fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:23].[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([CH:11]=[O:12])[cH:7][cH:8][cH:9][cH:10]1.[C:25](=[O:26])([O-:27])[OH:28].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38](=[O:39])[Cl:40].[CH3:41][OH:42].[NH2:13][CH:14]([CH2:15][CH2:16][C:17]([NH2:18])=[O:19])[C:20]([OH:21])=[O:22].[Na+:24].[Na+:29].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:43]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([CH2:11][N:13]([CH:14]([CH2:15][CH2:16][C:17]([NH2:18])=[O:19])[C:20]([OH:21])=[O:22])[C:38]([O:37][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:39])[cH:7][cH:8][cH:9][cH:10]1