HRID678334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2773216

2-Aminophenylboronic acid

C6H8BNO2

HCID66959037

未命名化合物

PRODUCTS

生成物

HCID66958882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2296dcaa3d6498d81674e20e216edc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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