HRID152369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

HCID4574913

未命名化合物

HCID21979882

5-Bromo-4-methylisoquinoline

C10H8BrN

PRODUCTS

生成物

结构：Cc1cncc2cccc(NC3CCC(NC(=O)OC(C)(C)C)CC3)c12

HCID21979892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7fea4dcaf3c4d69a8431aeb9dbde59e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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