HRID1126059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID54116619

Ethyl (5-bromopyridin-3-yl)acetate

C9H10BrNO2

结构：CCN(Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C

HCID67212456

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)OC(C)(C)C)c1

HCID67212500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9ed3aebaed24df5a5fa446a7d35468f
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[c:10]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[CH2:28][CH3:29])=[O:30].[CH2:31]([CH3:32])[O:33][C:34]([CH2:35][c:36]1[cH:37][n:38][cH:39][c:40]([Br:42])[cH:41]1)=[O:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[c:10](-[c:40]2[cH:39][n:38][cH:37][c:36]([CH2:35][C:34]([O:33][CH2:31][CH3:32])=[O:43])[cH:41]2)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[CH2:28][CH3:29])=[O:30]