HRID196755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1068

Dimethyl sulfide

C2H6S

结构：COC(=O)C(Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)SCCc1ccc(OCc2ccccc2)cc1

HCID86600805

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)SCCc1ccc(O)cc1

HCID73017203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c88745d801c64dd6ad52f0b62ce0564f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][S:17][CH:18]([C:19](=[O:20])[O:21][CH3:22])[CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([O:39][S:40](=[O:41])(=[O:42])[CH3:43])[cH:37][cH:38]3)[cH:28][cH:29]2)[cH:13][cH:14]1.[CH3:44][S:45][CH3:46].[OH2:47]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][S:17][CH:18]([C:19](=[O:20])[O:21][CH3:22])[CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][CH2:31][O:32][c:33]3[cH:34][cH:35][c:36]([O:39][S:40](=[O:41])(=[O:42])[CH3:43])[cH:37][cH:38]3)[cH:28][cH:29]2)[cH:13][cH:14]1