HRID113233

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID67982

4-Fluoro-2-methylaniline

C7H8FN

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID68908852

未命名化合物

PRODUCTS

产物

HCID57708076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-565b5aecd68d4095b039b142d8963863
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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