HRID110699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID75636

3,5-Dimethylisoxazole-4-carboxylic acid

C6H7NO3

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CCl)C2=O

HCID9995173

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(C)noc1C)C2=O

HCID15225527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3db42b7e23a147fb84077889996f220c
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

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