HRID2328617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCc1sc(C(=O)C(C)C)cc1C(Nc1ccc(C(=O)OC)cc1)C1CCCCC1

HCID68515565

未命名化合物

PRODUCTS

生成物

结构：CCc1sc(C(=O)C(C)C)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

HCID68515437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ed83b1cf6194ea79ff84b63e82ae4d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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