HRID196719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6595

Methacrylamide

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID67272077

未命名化合物

PRODUCTS

生成物

结构：CC(=Cc1cccc(-n2nc(-c3ccccc3F)cc2N)c1)C(N)=O

HCID67270653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-513284ca83ba49689dbff239d2a2067e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:21][C:22](=[CH2:23])[C:24]([NH2:25])=[O:26].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[F:1][c:2]1[c:3](-[c:8]2[n:9][n:10](-[c:14]3[cH:15][c:16]([I:20])[cH:17][cH:18][cH:19]3)[c:11]([NH2:13])[cH:12]2)[cH:4][cH:5][cH:6][cH:7]1.[O-:60][C:61]([CH3:62])=[O:63].[O-:64][C:65]([CH3:66])=[O:67].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[Pd+2:59].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[F:1][c:2]1[c:3](-[c:8]2[n:9][n:10](-[c:14]3[cH:15][c:16]([CH:21]=[C:22]([CH3:23])[C:24]([NH2:25])=[O:26])[cH:17][cH:18][cH:19]3)[c:11]([NH2:13])[cH:12]2)[cH:4][cH:5][cH:6][cH:7]1