HRID152053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

HCID15869783

7-Bromo-2-methyl-2,3-dihydro-1H-inden-1-one

C10H9BrO

结构：Cc1ccccc1-c1ccccc1P(c1ccccc1-c1ccccc1C)c1ccccc1-c1ccccc1C

HCID22172997

未命名化合物

PRODUCTS

生成物

HCID22173119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a287e6d3634743bdb81bf070920f2120
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

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH2:67]([CH2:68][O:69][CH3:70])[O:71][CH3:72].[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[OH2:82].[Pd+2:77].[c:27]1([CH3:28])[cH:29][cH:30][cH:31][cH:32][c:33]1-[c:34]1[cH:35][cH:36][cH:37][cH:38][c:39]1[P:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1-[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][c:59]1-[c:60]1[cH:61][cH:62][cH:63][cH:64][c:65]1[CH3:66].[s:13]1[c:14]([B:18]([OH:19])[OH:20])[cH:15][cH:16][cH:17]1>>[c:2]1(-[c:14]2[s:13][cH:17][cH:16][cH:15]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2