HRID140284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID57443493

Methyl (4-chloro-2-fluorophenyl)acetate

C9H8ClFO2

结构：CCC(CC)(c1ccc(C=CC2(O)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID67065059

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(C=CC2(O)CCCC2)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)c(F)c2)c(C)c1

HCID67065133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c89f15497e024a4ba3a637ab5847bb9b
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

[C:87](=[O:88])([OH:89])[O-:90].[C:92]([O-:93])(=[O:94])[CH3:95].[C:97]([O-:98])(=[O:99])[CH3:100].[CH2:51]([CH3:52])[C:53]([CH2:54][CH3:55])([c:56]1[cH:57][c:58]([CH3:71])[c:59]([B:62]2[O:63][C:64]([CH3:65])([CH3:66])[C:67]([CH3:68])([CH3:69])[O:70]2)[cH:60][cH:61]1)[c:72]1[cH:73][c:74]([CH3:86])[c:75]([CH:78]=[CH:79][C:80]2([OH:85])[CH2:81][CH2:82][CH2:83][CH2:84]2)[cH:76][cH:77]1.[CH3:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([F:12])[cH:7][c:8]([Cl:11])[cH:9][cH:10]1)=[O:13].[CH:14]1([P:15]([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2-[c:28]2[c:29]([O:30][CH3:31])[cH:32][cH:33][cH:34][c:35]2[O:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[K+:48].[K+:49].[K+:50].[Na+:91].[OH2:101].[P:43]([O-:44])([O-:45])([O-:46])=[O:47].[Pd+2:96]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([F:12])[cH:7][c:8](-[c:59]2[c:58]([CH3:71])[cH:57][c:56]([C:53]([CH2:51][CH3:52])([CH2:54][CH3:55])[c:72]3[cH:73][c:74]([CH3:86])[c:75]([CH:78]=[CH:79][C:80]4([OH:85])[CH2:81][CH2:82][CH2:83][CH2:84]4)[cH:76][cH:77]3)[cH:61][cH:60]2)[cH:9][cH:10]1)=[O:13]