HRID108764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7368

Benzotrifluoride

C7H5F3

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID166653

Hydride

H-

HCID232314

4-isopropylbenzenesulfonamide

C9H13NO2S

HCID53485315

1-Benzyl-4-(5-bromopyridin-3-yl)piperazine

C16H18BrN3

PRODUCTS

生成物

结构：CC(C)c1ccc(S(=O)(=O)Nc2cncc(N3CCN(Cc4ccccc4)CC3)c2)cc1

HCID68710069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2aacdee6ac64709a2047316f6c7fedb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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