HRID2161561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID70370

2,6-Di-tert-butyl-4-mercaptophenol

C14H22OS

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)c1ccc(S(=O)(=O)N2CCC(OS(C)(=O)=O)C2)n1C

HCID87243649

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(S(=O)(=O)N2CCC(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2)n1C

HCID87243647

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8306022661d840fab30fa557ef275e3a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:24](=[O:25])([O-:26])[O-:27].[C:30]([CH3:31])([CH3:32])([CH3:33])[c:34]1[c:35]([OH:45])[c:36]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:37][c:38]([SH:40])[cH:39]1.[CH2:46]([C:47]([CH3:48])=[O:49])[CH3:50].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH3:23])[c:7]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH:15]([O:18][S:19]([CH3:20])(=[O:21])=[O:22])[CH2:16][CH2:17]2)[cH:8][cH:9]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cs+:28].[Cs+:29].[OH2:51]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH3:23])[c:7]([S:10](=[O:11])(=[O:12])[N:13]2[CH2:14][CH:15]([S:40][c:38]3[cH:37][c:36]([C:41]([CH3:42])([CH3:43])[CH3:44])[c:35]([OH:45])[c:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[cH:39]3)[CH2:16][CH2:17]2)[cH:8][cH:9]1