HRID191436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID12162

Benzonitrile, 4-bromo-

C7H4BrN

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID3280088

未命名化合物

HCID178435103

未命名化合物

PRODUCTS

生成物

结构：CC(NC1=NC(=O)C(C)(c2ccc(C#N)cc2)S1)c1ccccc1F

HCID178463622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-055ef4cce09b493c85e432dd778311b3
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:18][c:19]1[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1.[CH3:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[CH3:74][Si:75]([N-:76][Si:77]([CH3:78])([CH3:79])[CH3:80])([CH3:81])[CH3:82].[F:1][c:2]1[c:3]([CH:8]([CH3:9])[NH:10][C:11]2=[N:15][C:14](=[O:16])[CH:13]([CH3:17])[S:12]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:73].[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:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[F:1][c:2]1[c:3]([CH:8]([CH3:9])[NH:10][C:11]2=[N:15][C:14](=[O:16])[C:13]([CH3:17])([c:19]3[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]3)[S:12]2)[cH:4][cH:5][cH:6][cH:7]1