HRID934453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID9741

1,3-Difluorobenzene

C6H4F2

HCID28179

Fluoride

F-

HCID61668

Boronic acid

H3BO2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

反应SMILES：COc1ccc2c(Oc3ccc(OCCN4CCCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID57552539

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc2c(Oc3ccc(OCCN4CCCCCC4)cc3)c(-c3cc(F)cc(F)c3)ccc2c1

HCID11420708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-38707b9949a443379e8fa63d2a7161ce
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[BH:40]([OH:41])[OH:42].[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH3:70][C:71]#[N:72].[CH:51]1([P:52]([CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH:59]2[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]2)[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Cs+:39].[F-:38].[F:43][c:44]1[cH:45][c:46]([F:50])[cH:47][cH:48][cH:49]1.[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35])[cH:18][cH:19][c:20]4[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][c:25]34)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Pd+2:77]>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17](-[c:48]4[cH:47][c:46]([F:50])[cH:45][c:44]([F:43])[cH:49]4)[cH:18][cH:19][c:20]4[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][c:25]34)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1