HRID1564489

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

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

结构：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

结构：Fc1cc(-n2ncc3c(Br)cccc32)ccc1OCc1ccccc1

HCID59272965

未命名化合物

PRODUCTS

生成物

结构：Oc1cccc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1

HCID136085246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4fe9af485f0f4dd3be38a65ca1e89692
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

[Br:1][c:2]1[c:3]2[cH:4][n:5][n:6](-[c:11]3[cH:12][c:13]([F:25])[c:14]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1.[CH3:28][C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][c:40]1-[c:41]1[c:42]([CH:43]([CH3:44])[CH3:45])[cH:46][c:47]([CH:48]([CH3:49])[CH3:50])[cH:51][c:52]1[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[ClH:58].[K+:27].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]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-:26].[OH2:65].[Pd:72].[Pd:73]>>[c:2]1([OH:26])[c:3]2[cH:4][n:5][n:6](-[c:11]3[cH:12][c:13]([F:25])[c:14]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:15][cH:16]3)[c:7]2[cH:8][cH:9][cH:10]1