HRID169260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID980

4-Nitrophenol

C6H5NO3

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID269698

BOC-DL-Phenylalanine

C14H19NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1

HCID3328325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f9bf67df9e64657a24ab83cc2cbce93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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