HRID303715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57472

2-(4-Bromophenyl)butanoic acid

C10H11BrO2

HCID57842879

未命名化合物

结构：CCSc1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57956370

未命名化合物

PRODUCTS

生成物

结构：CC(C)Sc1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CN(C)C(=O)OC(C)(C)C

HCID57842807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73451c803c1d4452a1a8190b993b4d35
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:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([S:30][CH2:31][CH3:32])[c:18]([CH2:19][N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:29]2)[cH:6][cH:7]1.[Br:54][c:55]1[cH:56][cH:57][c:58]([CH:59]([CH2:60][CH3:61])[C:62]([OH:63])=[O:64])[cH:65][cH:66]1.[C:33]([O:34][C:35](=[O:36])[N:37]([CH2:38][c:39]1[cH:40][c:41]([NH2:42])[cH:43][cH:44][c:45]1[S:46][CH:47]([CH3:48])[CH3:49])[CH3:50])([CH3:51])([CH3:52])[CH3:53]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][CH2:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([S:30][CH:31]([CH3:32])[CH3:33])[c:18]([CH2:19][N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:29]2)[cH:6][cH:7]1