HRID1233176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

结构：CC(C)CNNC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)NOC1CCCCO1

HCID178449889

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN(CC(C)C)C(=O)CCNC(=O)OC(C)(C)C)C(CC=Cc1ccccc1)C(=O)NOC1CCCCO1

HCID178445369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-733337cc28e2485fba9051a13705f036
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:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][CH2:42][CH2:43][C:44](=[O:45])[OH:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[O:1]1[CH:2]([O:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]([C:22](=[O:23])[NH:24][NH:25][CH2:26][CH:27]([CH3:28])[CH3:29])[CH2:30][CH:31]([CH3:32])[CH3:33])[CH2:3][CH2:4][CH2:5][CH2:6]1>>[O:1]1[CH:2]([O:7][NH:8][C:9](=[O:10])[CH:11]([CH2:12][CH:13]=[CH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:21]([C:22](=[O:23])[NH:24][N:25]([CH2:26][CH:27]([CH3:28])[CH3:29])[C:44]([CH2:43][CH2:42][NH:41][C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:40])=[O:45])[CH2:30][CH:31]([CH3:32])[CH3:33])[CH2:3][CH2:4][CH2:5][CH2:6]1