HRID97611

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

HCID12717575

未命名化合物

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1C)CC

HCID67065064

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)ccc3OC)cc2)cc1C)CC

HCID67065135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09dcc9588b184ddaa280955f85149ee1
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

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