HRID165739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6184

Hexanal

C6H12O

HCID15621043

Methyl 5-amino-2-fluorobenzoate

C8H8FNO2

HCID86077068

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccc(C#Cc2ccc(C(C)(C)C)cc2)cc1)c1ccc(F)c(C(=O)OC)c1

HCID57554565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85d3ae1ff2974535802d090aedab6276
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

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