HRID108117

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID104967

Cesium(1+)

Cs+

2 次

HCID2775198

1-(2,4-Dihydroxy-3-propylphenyl)ethan-1-one

C11H14O3

HCID68535736

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(Sc3cccc(C#N)c3)c2)ccc(C(C)=O)c1O

HCID68535777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ff7cacace6a4cb0b52f4037d38c4ed4
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:44](=[O:45])([O-:46])[O-:47].[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][CH2:61][CH3:62].[Cl:50][CH2:51][Cl:52].[Cs+:48].[Cs+:49].[OH:30][c:31]1[c:32]([C:41]([CH3:42])=[O:43])[cH:33][cH:34][c:35]([OH:40])[c:36]1[CH2:37][CH2:38][CH3:39].[OH:6][CH2:7][c:8]1[cH:9][c:10]([S:14][c:15]2[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]2)[cH:11][cH:12][cH:13]1>>[O:6]([CH2:7][c:8]1[cH:9][c:10]([S:14][c:15]2[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]2)[cH:11][cH:12][cH:13]1)[c:35]1[cH:34][cH:33][c:32]([C:41]([CH3:42])=[O:43])[c:31]([OH:30])[c:36]1[CH2:37][CH2:38][CH3:39]