HRID2137890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7854

Propionitrile

C3H5N

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID57742093

未命名化合物

HCID59456914

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(CN(C)C(=O)C=Cc2cnc3c(c2)CNC(C)(C)C(=O)N3)cccc1OC

HCID66967518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f77db9aea62649f68c390345104848e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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