HRID1117743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21009

Methyl 2-sulfanylbenzoate

C8H8O2S

反应SMILES：CC(C)(C)OC(=O)COc1ccc(CCOS(C)(=O)=O)cc1

HCID86600965

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1ccccc1SCCc1ccc(OCC(=O)OC(C)(C)C)cc1

HCID69259277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5fe87ae221934007b1d2ad34f8807b63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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