HRID944437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6386

tert-Butyl alcohol

C4H10O

HCID23938

Palladium

2 次

HCID28557

18-Crown-6

C12H24O6

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID2774524

3-Fluoro-4-iodotoluene

C7H6FI

HCID4574913

未命名化合物

HCID57970939

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N2CCCC3(CCN(C4CCC(O)CC4)C3=O)C2)c(F)c1

HCID66722366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0d560bced574335b0ed1b0518bbb485
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

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