HRID1235746

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6115

Aniline

C6H7N

HCID23938

Palladium

2 次

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

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(Nc4ccccc4)cc3C(F)(F)F)C2C1

HCID178452203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dc2acfa0f8d4584a989356b6bdf825a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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.[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:106](=[CH:107][C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)=[O:117])[c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[CH:70](=[CH:71][C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)=[O:81])[c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:88](=[CH:89][C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)=[O:99])[c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[NH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Na+:60].[Pd:68].[Pd:69]>>[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]([NH:48][c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:38][c:39]32)[CH2:46][CH2:47]1