HRID197578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID68819480

未命名化合物

结构：CCOC(=O)CC(NC(=O)OCc1ccccc1)c1cccc(N)c1

HCID76580846

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(NC(=O)OCc1ccccc1)c1cccc(NC(=O)C=CCc2c(C)cc(Br)cc2C)c1

HCID178472117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-731135211b9746da897d7805eedaf7cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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