HRID188657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID16028

Tetrabutylammonium

C16H36N+

HCID31275

1,4-Dioxane

C4H8O2

HCID270655

Boc-DL-valine

C10H19NO4

HCID3832489

benzyl 4-bromobutanoate

C11H13BrO2

PRODUCTS

生成物

结构：CC(C)C(NC(=O)OC(C)(C)C)C(=O)OCCCC(=O)OCc1ccccc1

HCID76538980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b084bc4834345b58addfb04668e1bc8
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

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[OH:15].[C:48](=[O:49])([OH:50])[O-:51].[CH2:17]([N+:18]([CH2:19][CH2:20][CH2:21][CH3:22])([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33].[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][C:42]([CH2:43][CH2:44][CH2:45][Br:46])=[O:47].[Na+:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH-:16]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13]([O:14][CH2:45][CH2:44][CH2:43][C:42]([O:41][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:47])=[O:15]