HRID2123279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67055333

未命名化合物

HCID178455676

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(c2cccc(C#N)c2)N2CC(C(c3cc(F)cc(F)c3)C(C)(C)F)C2)cc1

HCID77218512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9195a20c0f8d4e1e83d19aaf2641f1f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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