HRID316900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID31374

Dimethylacetamide

C4H9NO

结构：CCOC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(SC)cc1

HCID17828990

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(C)n1c(C(C)=O)nc(-c2ccc(F)cc2)c1-c1ccc(SC)cc1

HCID18463751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5da56787d2eb4c6f80b859e3e4a70218
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:45](=[O:46])([OH:47])[O-:48].[CH2:1]([CH3:2])[O:3][CH:4]([CH3:5])[n:6]1[cH:7][n:8][c:9](-[c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:10]1-[c:11]1[cH:12][cH:13][c:14]([S:17][CH3:18])[cH:15][cH:16]1.[CH2:34]([Li:35])[CH2:36][CH2:37][CH3:38].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:26][N:27]([CH3:28])[CH2:29][CH2:30][N:31]([CH3:32])[CH3:33].[CH3:39][N:40]([C:41]([CH3:42])=[O:43])[CH3:44].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[Na+:49]>>[CH2:1]([CH3:2])[O:3][CH:4]([CH3:5])[n:6]1[c:7]([C:41]([CH3:42])=[O:43])[n:8][c:9](-[c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[c:10]1-[c:11]1[cH:12][cH:13][c:14]([S:17][CH3:18])[cH:15][cH:16]1