HRID210253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

HCID10898660

(tetrahydrofuran-3-yl)methanamine

C5H11NO

结构：O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4F)nc3c3ccc(Br)cc3c12

HCID178518681

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4F)nc3c3ccc(NCC4CCOC4)cc3c12

HCID178518683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38dfb76ab930401baaa35658fea6bd14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]3[c:7]([c:8]4[cH:9][cH:10][nH:11][c:12](=[O:14])[c:13]24)[nH:15][c:16](-[c:18]2[c:19]([F:25])[cH:20][cH:21][cH:22][c:23]2[F:24])[n:17]3)[cH:26][cH:27]1.[C:34]([P:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1-[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:52])([CH3:53])[CH3:54].[CH3:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[CH3:28][C:29]([CH3:30])([O-:31])[CH3:32].[CH3:63][CH2:64][CH2:65][CH2:66][N+:67]([CH2:68][CH2:69][CH2:70][CH3:71])([CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH2:78][CH3:79].[F-:62].[NH2:55][CH2:56][CH:57]1[CH2:58][O:59][CH2:60][CH2:61]1.[Na+:33].[O:100]=[C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[O:118]=[C:119]([CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1)[CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:80].[Pd:81]>>[c:2]1([NH:55][CH2:56][CH:57]2[CH2:58][O:59][CH2:60][CH2:61]2)[cH:3][c:4]2[c:5]([c:6]3[c:7]([c:8]4[cH:9][cH:10][nH:11][c:12](=[O:14])[c:13]24)[nH:15][c:16](-[c:18]2[c:19]([F:25])[cH:20][cH:21][cH:22][c:23]2[F:24])[n:17]3)[cH:26][cH:27]1