HRID106868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3776

Isopropanol

C3H8O

结构：COC(=O)c1ccc(C(=O)NN=C(C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)cc1NC(C)=O

HCID86604757

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(C(=O)NN=C(C)c2csc(-c3ccc(C(C)(C)C)cc3)c2O)ccc1C(=O)O

HCID86604758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ae7b3f77da14cef8f143f1068399048
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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