HRID2139141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID11955

Benzoyl hydrazine

C7H8N2O

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID856802

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(=O)c2ccccc2)sc1C(=O)NNC(=O)c1ccccc1

HCID59369652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44a6fef252314084b18f5b8102574296
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][c:10]1[s:11][c:12]([C:16](=[O:17])[OH:18])[c:13]([CH3:15])[n:14]1.[C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[NH:42][NH2:43].[CH3:19][N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:26][C:27]([O:28][CH2:29][CH:30]([CH3:31])[CH3:32])=[O:33]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][c:10]1[s:11][c:12]([C:16](=[O:18])[NH:43][NH:42][C:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[O:41])[c:13]([CH3:15])[n:14]1