HRID313769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID16218149

4,4,5,5-Tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane

C14H21BO2

结构：COC(=O)Cc1cc2ccc(F)cc2c(OS(=O)(=O)C(F)(F)F)c1C

HCID59326772

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cc2ccc(F)cc2c(Cc2ccc(C)cc2)c1C

HCID59350825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef1c6cba799a4cd09c7ee7b5a65baf6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]2[cH:8][cH:9][c:10]([F:24])[cH:11][c:12]2[c:13]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[c:14]1[CH3:15])=[O:25].[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([CH2:34][c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[O:42]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH3:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([O:59][CH3:60])[cH:61][cH:62][cH:63][c:64]2[O:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[K+:77].[K+:78].[K+:79].[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[OH2:95].[P:72]([O-:73])([O-:74])([O-:75])=[O:76].[Pd+2:86]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]2[cH:8][cH:9][c:10]([F:24])[cH:11][c:12]2[c:13]([CH2:34][c:35]2[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]2)[c:14]1[CH3:15])=[O:25]