HRID100079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID316783

Methyl 4-Bromophenylacetate

C9H9BrO2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57709073

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1

HCID57709169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c8b83db0a7b4293bed5afcd71dfc05b
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:99]([O-:100])(=[O:101])[CH3:102].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][c:57]([CH3:70])[c:58]([B:61]2[O:62][C:63]([CH3:64])([CH3:65])[C:66]([CH3:67])([CH3:68])[O:69]2)[cH:59][cH:60]1)[c:71]1[cH:72][c:73]([CH3:89])[c:74]([CH2:77][CH2:78][C:79]([C:80]([F:81])([F:82])[F:83])([OH:84])[C:85]([F:86])([F:87])[F:88])[cH:75][cH:76]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([Br:11])[cH:9][cH:10]1)=[O:12].[CH3:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([O:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl-:90].[K+:47].[K+:48].[K+:49].[NH4+:91].[OH2:108].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:103]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:58]2[c:57]([CH3:70])[cH:56][c:55]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:71]3[cH:72][c:73]([CH3:89])[c:74]([CH2:77][CH2:78][C:79]([C:80]([F:81])([F:82])[F:83])([OH:84])[C:85]([F:86])([F:87])[F:88])[cH:75][cH:76]3)[cH:60][cH:59]2)[cH:9][cH:10]1)=[O:12]