HRID1128736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID2783385

2-fluoro-4-(methylsulfonyl)aniline

C7H8FNO2S

HCID4574913

未命名化合物

HCID86597369

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1SC1CCN(C(=O)OC(C)C)CC1

HCID59856681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d85520452b494646be0f8caaa4cc1434
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:34]([P:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1-[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:52])([CH3:53])[CH3:54].[C:67]([O-:68])(=[O:69])[CH3:70].[C:72]([O-:73])(=[O:74])[CH3:75].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([S:13][c:14]2[n:15][cH:16][n:17][c:18]([Cl:21])[c:19]2[CH3:20])[CH2:11][CH2:12]1.[F:22][c:23]1[c:24]([NH2:33])[cH:25][cH:26][c:27]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:28]1.[Na+:60].[Pd+2:71]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([S:13][c:14]2[n:15][cH:16][n:17][c:18]([NH:33][c:24]3[c:23]([F:22])[cH:28][c:27]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:26][cH:25]3)[c:19]2[CH3:20])[CH2:11][CH2:12]1