HRID182055

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID76689

[1,1'-Biphenyl]-4-carboxaldehyde

C13H10O

HCID66795489

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2c(NN=Cc3ccc(-c4ccccc4)cc3)cc(=O)n(C)c2=O)cc1

HCID66795890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64dfa34fe9394eaf816cd3eaf5380ee2
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

[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[NH:15]([NH2:16])[c:17]1[cH:18][c:19](=[O:34])[n:20]([CH3:33])[c:21](=[O:32])[n:22]1[CH2:23][c:24]1[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1.[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][cH:9][c:10]([CH:11]=[N:16][NH:15][c:17]3[cH:18][c:19](=[O:34])[n:20]([CH3:33])[c:21](=[O:32])[n:22]3[CH2:23][c:24]3[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]3)[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1