HRID307234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID551577

Ethyl norvalinate

C7H15NO2

结构：CC(Br)C(=O)N1C2=C(CCCC2)CC1C(=O)OCc1ccccc1

HCID178435172

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(C)C(=O)N1C2=C(CCCC2)CC1C(=O)OCc1ccccc1)C(=O)OCC

HCID178449078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4605fdbe6ef54106b10100cf8780d346
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:18][CH:19]([C:20](=[O:21])[N:22]1[CH:23]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:24][C:25]2=[C:30]1[CH2:29][CH2:28][CH2:27][CH2:26]2)[CH3:41].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:42][C:43]#[N:44].[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][CH2:9][CH3:10]>>[NH:1]([CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][CH2:9][CH3:10])[CH:19]([C:20](=[O:21])[N:22]1[CH:23]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:24][C:25]2=[C:30]1[CH2:29][CH2:28][CH2:27][CH2:26]2)[CH3:41]