HRID1537754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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

HCID2782827

3,3-difluoropyrrolidine

C4H7F2N

HCID46311197

Methyl 5-bromo-6-chloropyridine-2-carboxylate

C7H5BrClNO2

PRODUCTS

生成物

HCID86674757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e3dc0c5bb004f1f92276509668599c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:21](=[O:22])([O-:23])[O-:24].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:12])[c:8]([Br:11])[cH:9][cH:10]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[ClH:13].[Cs+:25].[Cs+:26].[F:14][C:15]1([F:20])[CH2:16][NH:17][CH2:18][CH2:19]1.[O:36]=[C:37]([CH:38]=[CH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[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.[Pd:34].[Pd:35]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:12])[c:8]([N:17]2[CH2:16][C:15]([F:14])([F:20])[CH2:19][CH2:18]2)[cH:9][cH:10]1