HRID2132158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID284

Formic acid

CH2O2

HCID7914

Isopropyl ether

C6H14O

2 次

HCID66172

5-Methyl-3-isoxazolamine

C4H6N2O

结构：COC(=O)C1=C(O)CN(Cc2ccccc2)S(=O)(=O)N1C

HCID54719673

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(NC(=O)C2=C(O)CN(Cc3ccccc3)S(=O)(=O)N2C)no1

HCID54719674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7096226097144c6b85883b703558311
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

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