HRID1564812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6184

Hexanal

C6H12O

HCID24971957

Methyl 2-fluoro-5-formylbenzoate

C9H7FO3

HCID57554509

未命名化合物

PRODUCTS

生成物

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

HCID57554526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fe09f5b2e3d4755abd17c575e800fec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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