HRID1226256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID252732

4-(4-Bromophenyl)butanoic acid

C10H11BrO2

结构：CCS(=O)(=O)c1ccc(N)cc1CNC(=O)OC(C)(C)C

HCID57842618

未命名化合物

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1C#N

HCID57842667

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(Br)cc2)cc1CNC(=O)OC(C)(C)C

HCID57842758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6ace4a1fc114b15a259aa6dccded6da
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

[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][c:16]([C:25]#[N:26])[c:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH3:24])[cH:18][cH:19]2)[cH:6][cH:7]1.[Br:48][c:49]1[cH:50][cH:51][c:52]([CH2:53][CH2:54][CH2:55][C:56]([OH:57])=[O:58])[cH:59][cH:60]1.[NH2:27][c:28]1[cH:29][cH:30][c:31]([S:32]([CH2:33][CH3:34])(=[O:42])=[O:43])[c:44]([CH2:46][NH:47][C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[cH:45]1.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[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][c:16]([CH2:25][NH:26][C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[c:17]([S:20](=[O:21])(=[O:22])[CH2:23][CH3:24])[cH:18][cH:19]2)[cH:6][cH:7]1