HRID692666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID107604

Methyl 4-bromobutyrate

C5H9BrO2

结构：Cc1cc(CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1O

HCID17953551

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCOc1ccc(CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

HCID17972182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-698748b068fd417b8222a5dd0715cc63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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