HRID92226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID21062879

Ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate

C14H10ClF2NO2

HCID21939655

tert-Butyl (2,6-difluorophenyl)carbamate

C11H13F2NO2

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N(C(=O)OC(C)(C)C)c2c(F)cccc2F)nc1-c1ccc(F)cc1F

HCID21062880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1aaca39977c4a87bfe7d99abae1c403
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:37](=[O:38])([O-:39])[O-:40].[CH3:44][S:45]([CH3:46])=[O:47].[Cl:1][c:2]1[n:3][c:4](-[c:13]2[c:14]([F:20])[cH:15][c:16]([F:19])[cH:17][cH:18]2)[c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[ClH:43].[Cs+:41].[Cs+:42].[F:21][c:22]1[c:23]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[c:24]([F:28])[cH:25][cH:26][cH:27]1>>[c:2]1([N:29]([c:23]2[c:22]([F:21])[cH:27][cH:26][cH:25][c:24]2[F:28])[C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[n:3][c:4](-[c:13]2[c:14]([F:20])[cH:15][c:16]([F:19])[cH:17][cH:18]2)[c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1