HRID199341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

HCID3280088

未命名化合物

结构：COc1cc2nccc(Cc3ccc4cc(Br)ccc4c3)c2cc1OC

HCID67520211

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Cc3ccc4cc(N)ccc4c3)c2cc1OC

HCID67520570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed7c273b341645e69235d45d8a4ada12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][c:13]3[cH:14][cH:15][n:16][c:17]4[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][c:22]34)[cH:8][c:9]2[cH:10][cH:11]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:35][Si:36]([N-:39][Si:37]([CH3:38])([CH3:40])[CH3:41])([CH3:42])[CH3:43].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[ClH:51].[Li+:34].[Na+:45].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]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.[OH-:44].[Pd:52].[Pd:53]>>[c:2]1([NH2:39])[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][c:13]3[cH:14][cH:15][n:16][c:17]4[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][c:22]34)[cH:8][c:9]2[cH:10][cH:11]1