HRID2122530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID67674

1-Bromo-2,4-difluorobenzene

C6H3BrF2

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：CN1CCN(C(=O)C2CC(N)CN2C(=O)OC(C)(C)C)CC1

HCID178481044

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)C2CC(Nc3ccc(F)cc3F)CN2C(=O)OC(C)(C)C)CC1

HCID178481043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2ad3f17dd314dd583dbbf6947908fbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:50][c:51]1[c:52]([F:58])[cH:53][c:54]([F:57])[cH:55][cH:56]1.[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]2)[CH2:10][CH:11]([NH2:13])[CH2:12]1.[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[cH:42][cH:43][cH:44][cH:45][cH:46]1)([CH3:47])([CH3:48])[CH3:49].[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:104](=[CH:105][C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)=[O:115])[c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[CH:68](=[CH:69][C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)=[O:79])[c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:86](=[CH:87][C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)=[O:97])[c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Na+:28].[Pd:66].[Pd:67]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]2)[CH2:10][CH:11]([NH:13][c:51]2[c:52]([F:58])[cH:53][c:54]([F:57])[cH:55][cH:56]2)[CH2:12]1