HRID694798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID136809

Benzophenone imine

C13H11N

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN2C(=O)c3c(cc(Br)cc3C(F)(F)F)C2C1

HCID68691844

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN2C(=O)c3c(cc(N)cc3C(F)(F)F)C2C1

HCID178452204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57e13ef93996489cb5f9b5c251013790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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[cH:14][cH:15][cH:16][cH:17][cH:18]1)([CH3:19])([CH3:20])[CH3:21].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH:31]2[N:32]([C:33](=[O:45])[c:34]3[c:35]([C:41]([F:42])([F:43])[F:44])[cH:36][c:37]([Br:40])[cH:38][c:39]32)[CH2:46][CH2:47]1.[C:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)=[NH:61].[CH3:62][C:63]([CH3:64])([O-:65])[CH3:66].[CH3:69][C:70](=[O:71])[O-:72].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[ClH:73].[NH2:74][OH:75].[Na+:67].[Na+:68].[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]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]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.[Pd:83].[Pd:84]>>[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH:31]2[N:32]([C:33](=[O:45])[c:34]3[c:35]([C:41]([F:42])([F:43])[F:44])[cH:36][c:37]([NH2:61])[cH:38][c:39]32)[CH2:46][CH2:47]1