HRID2154942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID1908440

N-[(3,4-Dimethoxyphenyl)methyl]-β-alanine ethyl ester

C14H21NO4

结构：COc1cc(CC(=O)NCC(=O)O)ccc1NC(=O)Nc1ccccc1C

HCID54466640

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(Cc1ccc(OC)c(OC)c1)C(=O)CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1

HCID69679748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65193f00980448d88c345a219c7e463f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:28]([CH3:29])[O:30][C:31]([CH2:32][CH2:33][NH:34][CH2:35][c:36]1[cH:37][c:38]([O:44][CH3:45])[c:39]([O:42][CH3:43])[cH:40][cH:41]1)=[O:46].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1.[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:20][C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[N:34]([CH2:33][CH2:32][C:31]([O:30][CH2:28][CH3:29])=[O:46])[CH2:35][c:36]2[cH:37][c:38]([O:44][CH3:45])[c:39]([O:42][CH3:43])[cH:40][cH:41]2)[cH:6][cH:7][c:8]1[NH:9][C:10](=[O:11])[NH:12][c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1