HRID108392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2757378

4-(4-Carboxyphenyl)-3-thiosemicarbazide

C8H9N3O2S

结构：CC(=O)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O

HCID67050084

未命名化合物

PRODUCTS

生成物

结构：CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O

HCID72976494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e1344c71ab945fa9e87baf9cfc9db57
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[O:19])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[ClH:40].[NH:21]([NH2:22])[C:23](=[S:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]1.[OH2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[N:22][NH:21][C:23](=[S:24])[NH:25][c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]3)[n:14][n:15]2[CH3:16])[cH:9][cH:10]1