HRID1113061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID10380286

未命名化合物

反应SMILES：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1

HCID11618717

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

C29H45P

PRODUCTS

产物

HCID59192523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fb89f599c6ec4d409d44801eb18f28e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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