HRID89474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6343

Ethanethiol

C2H6S

HCID8857

Ethyl acetate

C4H8O2

结构：COC1C(OC(C)=O)C(COC(C)=O)OC(OC(C)=O)C1OC(C)=O

HCID523850

未命名化合物

PRODUCTS

生成物

结构：CCSC1OC(COC(C)=O)C(OC(C)=O)C(OC)C1OC(C)=O

HCID178477404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a2e009a6c2408ab089170d4623a9a2
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

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