HRID1145962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6184

Hexanal

C6H12O

结构：CC1(C)OC(=O)c2cc(NCc3ccc(C#Cc4ccc(C(F)(F)F)cc4)cc3)ccc2O1

HCID57554502

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1)c1ccc2c(c1)C(=O)OC(C)(C)O2

HCID57554577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a651d3d0ba564ccb922658067bb1a990
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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