HRID139978

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7854

Propionitrile

C3H5N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID22139051

未命名化合物

HCID22139057

未命名化合物

PRODUCTS

生成物

结构：COCCN1Cc2cc(C=CC(=O)N(C)Cc3c(C)[nH]c4ccccc34)cnc2NC1=O

HCID66780837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2de9a93eaf34797b15b5faab5e88294
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:15][cH:16]1)[NH:6][C:7](=[O:14])[N:8]([CH2:10][CH2:11][O:12][CH3:13])[CH2:9]2.[C:65](#[N:66])[CH2:67][CH3:68].[CH3:17][c:18]1[nH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[c:26]1[CH2:27][N:28]([C:29]([CH:30]=[CH2:31])=[O:32])[CH3:33].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[Pd+2:69].[c:34]1([CH3:35])[cH:36][cH:37][cH:38][cH:39][c:40]1[P:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55]>>[c:2]1([CH:31]=[CH:30][C:29]([N:28]([CH2:27][c:26]2[c:18]([CH3:17])[nH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]32)[CH3:33])=[O:32])[cH:3][c:4]2[c:5]([n:15][cH:16]1)[NH:6][C:7](=[O:14])[N:8]([CH2:10][CH2:11][O:12][CH3:13])[CH2:9]2