HRID143297

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：CS(=O)(=O)Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID11628623

未命名化合物

PRODUCTS

生成物

结构：CSc1cc(F)ccc1-c1ccc2cc(OS(C)(=O)=O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

HCID11238709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee9bd84e0c284dda89549212a4d717a1
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:41]([OH:42])[OH:43].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[c:12]([C:16]([c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:21][cH:22]3)=[O:32])[c:13]2[cH:14][cH:15]1.[CH3:44][S:45][c:46]1[cH:47][cH:48][cH:49][c:50]([F:52])[cH:51]1.[CH:53]1([P:54]([CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[CH:61]2[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]2)[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cs+:73].[F-:72].[Pd+2:78]>>[CH3:1][S:2](=[O:3])(=[O:4])[O:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11](-[c:47]3[c:46]([S:45][CH3:44])[cH:51][c:50]([F:52])[cH:49][cH:48]3)[c:12]([C:16]([c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]4)[cH:21][cH:22]3)=[O:32])[c:13]2[cH:14][cH:15]1