HRID1575920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID57443272

3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C13H19BO3

HCID67271473

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C)n(C(C)C)c2cc(-c3ccc(O)cc3C)ccc12

HCID67271899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abeb1ac648cc4d41a03c790f594e0666
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

[CH3:19][c:20]1[cH:21][c:22]([OH:35])[cH:23][cH:24][c:25]1[B:26]1[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:18])[n:7]([CH:15]([CH3:16])[CH3:17])[c:8]2[cH:9][c:10]([Cl:14])[cH:11][cH:12][c:13]12.[CH:44]1([P:45]([CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[ClH:63].[K+:41].[K+:42].[K+:43].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]1[CH2:122][CH2:123][O:124][CH2:125][CH2:126]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:64].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[Pd:65].[Pd:66]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:18])[n:7]([CH:15]([CH3:16])[CH3:17])[c:8]2[cH:9][c:10](-[c:25]3[c:20]([CH3:19])[cH:21][c:22]([OH:35])[cH:23][cH:24]3)[cH:11][cH:12][c:13]12