HRID1207035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID75452

4-Methoxybenzylamine

C8H11NO

HCID95417

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

C17H14O

3 次

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Nc2cccc3c(Cl)nccc23)CC1

HCID21979829

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nccc3c(NC4CCN(C(=O)OC(C)(C)C)CC4)cccc23)cc1

HCID21979935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-705f05ea7c2b4014abe8bc630d9abfa7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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