HRID114747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2734314

4-Benzyloxyphenylboronic acid

C13H13BO3

HCID21100038

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1-c1ccc(OCc3ccccc3)cc1)CCC2=O

HCID21100031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cf4a1caf9d543749390a1436fe88a4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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