HRID106456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(Cl)ccc12

HCID10406687

N-[6-chloro-1-[[2-(trimethylsilyl)ethoxy)methyl]-1H-indazol-3-yl)butanamide

C17H26ClN3O2Si

PRODUCTS

生成物

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12

HCID22319666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59a99f698bda493992acee735e0638ff
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:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([NH:35][C:36]([CH2:37][CH2:38][CH3:39])=[O:40])[n:23][n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:25]2[cH:26]1.[Cs+:16].[F-:15].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([B:10]([OH:11])[OH:12])[cH:8][cH:9]1)([F:13])[F:14].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[Pd+2:57]>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:18]2[cH:19][cH:20][c:21]3[c:22]([NH:35][C:36]([CH2:37][CH2:38][CH3:39])=[O:40])[n:23][n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:25]3[cH:26]2)[cH:8][cH:9]1)([F:13])[F:14]