HRID145219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID4463278

Phosphine, tricyclopentyl-

C15H27P

结构：Cc1csc(Nc2cc(Sc3c(Cl)cccc3Cl)c(Br)cn2)n1

HCID86634751

未命名化合物

PRODUCTS

生成物

结构：Cc1csc(Nc2cc(Sc3c(Cl)cccc3Cl)c(O)cn2)n1

HCID57898949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ad78a5bf80a45b6bf47029207b61b92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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