HRID2328495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID13295518

1-(2-Hydroxy-3-propyl-4-sulfanylphenyl)ethan-1-one

C11H14O2S

HCID57438305

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(SCc2cccc(Cc3cccc(C(=O)OC)c3)c2)ccc(C(C)=O)c1O

HCID66699559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b641a643f7ee408881f764bc10df498e
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

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