HRID1218052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID97826

2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester

C11H13NO2

HCID2734645

Boc-cycloleucine

C11H19NO4

结构：NC1(C(=O)Nc2ccc(C=CC(=O)[O-])cc2)CCCC1

HCID86603511

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)cc1

HCID69298996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8c1698c72ad45e5be48c075dbb2d013
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[NH:42][C:43]1([C:48](=[O:49])[OH:50])[CH2:44][CH2:45][CH2:46][CH2:47]1.[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[NH2:1][C:2]1([C:3]([NH:4][c:5]2[cH:6][cH:7][c:8]([CH:9]=[CH:10][C:11]([O-:12])=[O:13])[cH:14][cH:15]2)=[O:16])[CH2:17][CH2:18][CH2:19][CH2:20]1.[NH2:21][c:22]1[cH:23][cH:24][c:25]([CH:28]=[CH:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:26][cH:27]1>>[NH:21]([c:22]1[cH:23][cH:24][c:25]([CH:28]=[CH:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:26][cH:27]1)[C:48]([C:43]1([NH:42][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])[CH2:44][CH2:45][CH2:46][CH2:47]1)=[O:49]