HRID1139239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID79341

Piperidin-4-ol

C5H11NO

结构：C#CCN(Cc1cc2c(=O)n(C)c(COS(C)(=O)=O)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID11813583

未命名化合物

PRODUCTS

生成物

结构：C#CCN(Cc1cc2c(=O)n(C)c(CN3CCC(O)CC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

HCID11734327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ee5e6df16f44fd3897ab277a76800b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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