HRID315437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID2736842

Methyl 2-chloroisonicotinate

C7H6ClNO2

HCID14523560

1-{4-[(3-Aminophenyl)methoxy]-2-hydroxy-3-propylphenyl}ethan-1-one

C18H21NO3

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(Nc3cc(C(=O)OC)ccn3)c2)ccc(C(C)=O)c1O

HCID68534962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61c6ce92971942619ac8223565e865a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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