HRID306339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CCOC(=O)c1cn(C(C(C)C)C(C)(C)O[SiH2]C(C)(C)C)c2cc(OC)c(Br)cc2c1=O

HCID178469766

未命名化合物

HCID178505939

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C(C(C)C)C(C)(C)O[SiH2]C(C)(C)C)c2cc(OC)c(Cc3cccc(Cl)c3F)cc2c1=O

HCID178469767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5510bf9a4cce4257a4101a793ebe8726
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:52].[Br:20][c:21]1[cH:22][c:23]2[c:24](=[O:51])[c:25]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:26][n:27]([CH:33]([CH:34]([CH3:35])[CH3:36])[C:37]([O:38][SiH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45])[c:28]2[cH:29][c:30]1[O:31][CH3:32].[CH3:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[Cl-:63].[Cl:53][c:54]1[c:55]([F:62])[c:56]([CH2:57][Zn+:58])[cH:59][cH:60][cH:61]1.[NH4+:64].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:21]1([CH2:57][c:56]2[c:55]([F:62])[c:54]([Cl:53])[cH:61][cH:60][cH:59]2)[cH:22][c:23]2[c:24](=[O:51])[c:25]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:26][n:27]([CH:33]([CH:34]([CH3:35])[CH3:36])[C:37]([O:38][SiH2:39][C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45])[c:28]2[cH:29][c:30]1[O:31][CH3:32]