HRID202615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID84399

3,3,5,5-Tetramethylcyclohexanone

C10H18O

结构：COC(=O)c1sc(-c2cccc(N)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID17759542

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2cccc(NC3CC(C)(C)CC(C)(C)C3)c2)c(Br)c1OCC(=O)OC(C)(C)C

HCID57640842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56feeff1154f487691612b56ca3109e9
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

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