HRID123454

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

HCID2734344

4-(Dimethylamino)phenylboronic acid

C8H12BNO2

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

HCID15869784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfaaa104912f45179726b042378385f7
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

[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:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH2:71]([CH2:72][O:73][CH3:74])[O:75][CH3:76].[CH3:13][N:14]([c:15]1[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1)[CH3:24].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:86].[Pd+2:81].[c:31]1([CH3:32])[cH:33][cH:34][cH:35][cH:36][c:37]1-[c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[P:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1-[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[CH3:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][c:63]1-[c:64]1[cH:65][cH:66][cH:67][cH:68][c:69]1[CH3:70]>>[c:2]1(-[c:18]2[cH:17][cH:16][c:15]([N:14]([CH3:13])[CH3:24])[cH:20][cH:19]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2