HRID2135331

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

HCID95417

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

C17H14O

3 次

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID736487

5-Bromoisoquinoline

C9H6BrN

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID21979917

N-(tert-butoxycarbonyl)-N'-(5-isoquinolyl)ethylenediamine

C16H21N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-661dfa7c94cf40b5872f058d4129fb86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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