HRID682181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2783270

2-Fluoro-3-pyridylboronic acid

C5H5BFNO2

HCID46899809

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccnc3F)cc2C1

HCID11709762

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ff84867c324554bb404b14d7d2004d
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

[C:18](=[O:19])([O-:20])[O-:21].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[Cs+:22].[Cs+:23].[F:24][c:25]1[n:26][cH:27][cH:28][cH:29][c:30]1[B:31]([OH:32])[OH:33].[I:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH2:7][CH:6]([NH:11][S:12](=[O:13])(=[O:14])[CH:15]([CH3:16])[CH3:17])[CH2:5]2.[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[Pd+2:57].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[c:2]1(-[c:30]2[c:25]([F:24])[n:26][cH:27][cH:28][cH:29]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH2:7][CH:6]([NH:11][S:12](=[O:13])(=[O:14])[CH:15]([CH3:16])[CH3:17])[CH2:5]2