HRID2332281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2736399

1-Bromo-2,3,5-trifluorobenzene

C6H2BrF3

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID57552509

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCCC4)cc3)c(-c3cc(F)cc(F)c3F)ccc2c1

HCID57552540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d55504fb03ca4a8d8085ded97556979f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:41][c:42]1[c:43]([F:50])[c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]1.[CH3:51][C:52]#[N:53].[Cs+:40].[F-:39].[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Pd:54]>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[c:17]3[c:18](-[c:42]4[c:43]([F:50])[c:44]([F:49])[cH:45][c:46]([F:48])[cH:47]4)[cH:19][cH:20][c:21]4[cH:22][c:23]([O:27][CH3:28])[cH:24][cH:25][c:26]34)[cH:37][cH:38]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1