HRID171558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13530069

未命名化合物

HCID57056997

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(CNCCCC(c1ccc(F)cc1)c1ccc(F)cc1)N(C)C(=O)OC(C)(C)C

HCID70075129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b3ca50e4f1d48afadd9abf3a9ba086a
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:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([N:26]([CH3:27])[CH:28]([CH2:29][CH:30]([CH3:31])[CH3:32])[CH:33]=[O:34])=[O:35].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][NH2:12])[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][NH:12][CH2:33][CH:28]([N:26]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:35])[CH3:27])[CH2:29][CH:30]([CH3:31])[CH3:32])[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1