HRID186342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID53401194

6-Bromo-5-fluoropyridine-2-carboxylic acid

C6H3BrFNO2

结构：CC1CC(c2ccncc2N)CC2C1OC(=O)N2C(=O)OC(C)(C)C

HCID68409051

未命名化合物

PRODUCTS

生成物

结构：CC1CC(c2ccncc2NC(=O)c2ccc(F)c(Br)n2)CC2C1OC(=O)N2C(=O)OC(C)(C)C

HCID72238215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bd001c3d8a24fa1a3cecd2ce57f1595
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:26][c:27]1[c:28]([F:36])[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[n:32]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[CH:8]1[CH2:9][CH:10]([CH3:25])[CH:11]2[CH:12]([N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:14](=[O:16])[O:15]2)[CH2:24]1>>[NH:1]([c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[CH:8]1[CH2:9][CH:10]([CH3:25])[CH:11]2[CH:12]([N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:14](=[O:16])[O:15]2)[CH2:24]1)[C:33]([c:31]1[cH:30][cH:29][c:28]([F:36])[c:27]([Br:26])[n:32]1)=[O:34]