HRID934947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

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

HCID4574913

未命名化合物

结构：CC(C)c1ccc(CC(=O)NC(C)c2ccc(Br)cn2)cc1

HCID91053079

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(CC(=O)NC(C)c2ccc(NCC(F)(F)F)cn2)cc1

HCID178439105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-599e1ae863a64100aeb168dcbf2cd13b
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[CH3:21])[cH:17][cH:18]2)=[O:22])[n:6][cH:7]1.[CH3:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[F:23][C:24]([CH2:25][NH2:26])([F:27])[F:28].[Na+:34].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[c:52]2-[c:53]2[c:54]3[c:55]([cH:56][cH:57][cH:58][cH:59]3)[cH:60][cH:61][c:62]2[P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:2]1([NH:26][CH2:25][C:24]([F:23])([F:27])[F:28])[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([CH:19]([CH3:20])[CH3:21])[cH:17][cH:18]2)=[O:22])[n:6][cH:7]1