HRID2152820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID7947

1,3,5-Trimethylbenzene

C9H12

HCID10536242

4-(4-methylbenzyl)-piperidin-4-ol

C13H19NO

结构：COc1ccc2c(c1)CC(COS(=O)(=O)c1ccc(C)cc1)N2S(=O)(=O)c1ccc(C)cc1

HCID86757886

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CC(CN1CCC(O)(Cc3ccc(C)cc3)CC1)N2S(=O)(=O)c1ccc(C)cc1

HCID22628326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce836612aa9347e8af80f3c9b7d6f537
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[N:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[CH:7]([CH2:22][O:23][S:24]([c:25]1[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]1)(=[O:32])=[O:33])[CH2:6]2.[CH3:34][c:35]1[cH:36][cH:37][c:38]([CH2:39][C:40]2([OH:46])[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[cH:47][cH:48]1.[ClH:49].[c:50]1([CH3:51])[cH:52][c:53]([CH3:54])[cH:55][c:56]([CH3:57])[cH:58]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[N:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[CH:7]([CH2:22][N:43]1[CH2:42][CH2:41][C:40]([CH2:39][c:38]3[cH:37][cH:36][c:35]([CH3:34])[cH:48][cH:47]3)([OH:46])[CH2:45][CH2:44]1)[CH2:6]2