HRID1143675

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-

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID2734337

3,4-Difluorophenylboronic acid

C6H5BF2O2

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(-c3ccc(F)c(F)c3)ccc2c1

HCID11179620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-708a070139b6481093f3adbe6b2c0a11
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:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH3:79][C:80]#[N:81].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[Cs+:58].[F-:57].[F:59][c:60]1[cH:61][c:62]([B:67]([OH:68])[OH:69])[cH:63][cH:64][c:65]1[F:66].[N:20]1([CH2:27][CH2:28][O:29][c:30]2[cH:31][cH:32][c:33]([O:34][c:35]3[c:36]([O:47][S:48]([C:49]([F:50])([F:51])[F:52])(=[O:53])=[O:54])[cH:37][cH:38][c:39]4[cH:40][c:41]([O:45][CH3:46])[cH:42][cH:43][c:44]34)[cH:55][cH:56]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[Pd+2:74]>>[N:20]1([CH2:27][CH2:28][O:29][c:30]2[cH:31][cH:32][c:33]([O:34][c:35]3[c:36](-[c:62]4[cH:61][c:60]([F:59])[c:65]([F:66])[cH:64][cH:63]4)[cH:37][cH:38][c:39]4[cH:40][c:41]([O:45][CH3:46])[cH:42][cH:43][c:44]34)[cH:55][cH:56]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1