HRID144733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID5437

Thiazolidinedione

C3H3NO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：Cc1cccc(-c2nc(COC3CCCC(CC=O)C3)c(C)o2)c1

HCID58763392

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(COC3CCCC(CC(O)C4SC(=O)NC4=O)C3)c(C)o2)c1

HCID58763364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b93ee55ad2b74ffea68c2ebd2a025b5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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