HRID1555816

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

HCID1061

Phosphate

O4P-3

HCID3283

Diethyl Ether

C4H10O

HCID105144

Palladium(2+)

Pd+2

HCID2734106

Methyl 2,4-dichlorobenzeneacetate

C9H8Cl2O2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57708926

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)c(Cl)c2)c(C)c1

HCID57709101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-466d448abbb34345bcae6aa19ad3f420
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1.[CH3:81][O:82][C:83]([CH2:84][c:85]1[c:86]([Cl:92])[cH:87][c:88]([Cl:91])[cH:89][cH:90]1)=[O:93].[CH3:94][CH2:95][O:96][CH2:97][CH3:98].[CH:44]1([P:45]([CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2-[c:58]2[c:59]([O:60][CH3:61])[cH:62][cH:63][cH:64][c:65]2[O:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]1.[K+:78].[K+:79].[K+:80].[O-:100][C:101]([CH3:102])=[O:103].[O-:104][C:105]([CH3:106])=[O:107].[P:73]([O-:74])([O-:75])([O-:76])=[O:77].[Pd+2:99]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:14][CH2:15][c:16]1[c:17]([CH3:43])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]2[cH:26][c:27]([CH3:40])[c:28](-[c:88]3[cH:87][c:86]([Cl:92])[c:85]([CH2:84][C:83]([O:82][CH3:81])=[O:93])[cH:90][cH:89]3)[cH:29][cH:30]2)[CH2:41][CH3:42])[cH:20][cH:21]1