HRID112617

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(Cc2ccccc2)c(-c2ccc(C(C)(C)C)cc2)c1O

HCID67050089

未命名化合物

PRODUCTS

生成物

结构：CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1nn(Cc2ccccc2)c(-c2ccc(C(C)(C)C)cc2)c1O

HCID72359935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b7be931e29f46ad87e48283bb7a66d7
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:26])[c:13]([C:23]([CH3:24])=[O:25])[n:14][n:15]2[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:9][cH:10]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[ClH:46].[NH:27]([NH2:28])[C:29](=[S:30])[NH:31][c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:26])[c:13]([C:23]([CH3:24])=[N:28][NH:27][C:29](=[S:30])[NH:31][c:32]3[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]3)[n:14][n:15]2[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:9][cH:10]1