HRID1549550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：COc1cc(C)c(S(=O)(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(OC)OC)c(C)c1

HCID67316031

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(C)c(S(=O)(=O)N2C=CNC(=O)C2CC(=O)OC(C)(C)C)c(C)c1

HCID67315531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce17ea7e27764fc7a68b400c287e9778
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

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