HRID1114097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8471

Triethylamine

C6H15N

HCID77035

1H-Isoindole-1,3(2H)-dione, 2-ethenyl-

C10H7NO2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2735880

3-Bromo-5-(trifluoromethyl)aniline

C7H5BrF3N

PRODUCTS

生成物

结构：Nc1cc(C=CN2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1

HCID66721593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eae5500aa1ab4a84888ecc426bfc2176
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[CH3:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]1[P:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[CH3:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[CH3:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH:42](=[CH2:43])[N:44]1[C:45](=[O:54])[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[C:52]1=[O:53].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[Pd+2:55]>>[c:2]1([CH:43]=[CH:42][N:44]2[C:45](=[O:54])[c:46]3[cH:47][cH:48][cH:49][cH:50][c:51]3[C:52]2=[O:53])[cH:3][c:4]([NH2:5])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1