HRID1550126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc([N+](=O)[O-])cc2C(C)C)c(C(C)C)c1

HCID10209327

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc(N)cc2C(C)C)c(C(C)C)c1

HCID10142595

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7922f3aac87e4d7ca787576d8ad78c4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][S:17]([NH:18][C:19]([CH2:20][c:21]2[c:22]([CH:33]([CH3:34])[CH3:35])[cH:23][c:24]([CH:30]([CH3:31])[CH3:32])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])=[O:36])(=[O:37])=[O:38])[c:6]([CH:13]([CH3:14])[CH3:15])[cH:7][c:8]([N+:10]([O-:11])=[O:12])[cH:9]1.[H:39][H:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][S:17]([NH:18][C:19]([CH2:20][c:21]2[c:22]([CH:33]([CH3:34])[CH3:35])[cH:23][c:24]([CH:30]([CH3:31])[CH3:32])[cH:25][c:26]2[CH:27]([CH3:28])[CH3:29])=[O:36])(=[O:37])=[O:38])[c:6]([CH:13]([CH3:14])[CH3:15])[cH:7][c:8]([NH2:10])[cH:9]1