HRID316232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7993

3-(Dimethylamino)propylamine

C5H14N2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

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)Cn1ncc2cc(Oc3ccc(F)cc3F)c(Br)cc21

HCID57418762

6-Bromo-5-(2,4-difluorophenoxy)-1-(2-methylpropyl)-1H-indazole

C17H15BrF2N2O

PRODUCTS

生成物

结构：CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(NCCCN(C)C)cc21

HCID57639704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4a0bc6b64e84c6fba3c1e7f284eb8c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:15][c:16]2[c:17]([F:23])[cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][CH:12]([CH3:13])[CH3:14])[c:9]2[cH:10]1.[CH3:24][N:25]([CH2:26][CH2:27][CH2:28][NH2:29])[CH3:30].[CH3:77][C:78]([CH3:79])([O-:80])[CH3:81].[Na+:82].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:83]1[CH2:84][CH2:85][O:86][CH2:87][CH2:88]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90].[cH:31]1[cH:32][cH:33][c:34]([P:35]([c:36]2[cH:37][cH:38][c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[c:45]2-[c:46]2[c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[cH:53][cH:54][c:55]2[P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76]1>>[c:2]1([NH:29][CH2:28][CH2:27][CH2:26][N:25]([CH3:24])[CH3:30])[c:3]([O:15][c:16]2[c:17]([F:23])[cH:18][c:19]([F:22])[cH:20][cH:21]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH2:11][CH:12]([CH3:13])[CH3:14])[c:9]2[cH:10]1