HRID2341093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：COc1cc(OC)c(C=CS(=O)(=O)Cc2ccc(OC)c(N)c2)c(OC)c1

HCID45835937

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNc1cc(CS(=O)(=O)C=Cc2c(OC)cc(OC)cc2OC)ccc1OC

HCID76144830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38dafda5a7024fe6b21447e29cfd94fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][C:3](=[O:4])[O:5][CH3:6].[CH3:12][O:13][c:14]1[c:15]([CH:16]=[CH:17][S:18](=[O:19])(=[O:20])[CH2:21][c:22]2[cH:23][cH:24][c:25]([O:29][CH3:30])[c:26]([NH2:28])[cH:27]2)[c:31]([O:37][CH3:38])[cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH3:39][OH:40].[CH3:8][C:9](=[O:10])[O-:11].[Na+:7]>>[CH2:2]([C:3](=[O:4])[O:5][CH3:6])[NH:28][c:26]1[c:25]([O:29][CH3:30])[cH:24][cH:23][c:22]([CH2:21][S:18]([CH:17]=[CH:16][c:15]2[c:14]([O:13][CH3:12])[cH:34][c:33]([O:35][CH3:36])[cH:32][c:31]2[O:37][CH3:38])(=[O:19])=[O:20])[cH:27]1