HRID698085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7813

4-Methylbenzenamine

C7H9N

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID12109

Benzenamine, 4-methyl-N-phenyl-

C13H13N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e79c1773e846450993dcf5dd3ceabc66
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

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