HRID166635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID28179

Fluoride

F-

HCID61668

Boronic acid

H3BO2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID2759164

3-Fluorothioanisole

C7H7FS

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID11685250

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(F)cc3SC)ccc2c1

HCID57552520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a41443c1a74481d96da267fadd783ca
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

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