HRID307712

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：CC(C)(C)OC(=O)N1C(=O)OC2CCC(c3ccncc3N)CC21

HCID59226567

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(=O)OC2CCC(c3ccncc3NC(=O)c3ccc(F)c(Br)n3)CC21

HCID59226599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1fd8382aa8440fc968311b2ef96a975
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:25][c:26]1[c:27]([F:35])[cH:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[n:31]1.[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[NH2:1][c:2]1[cH:3][n:4][cH:5][cH:6][c:7]1[CH:8]1[CH2:9][CH2:10][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][CH2:10][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:32]([c:30]1[cH:29][cH:28][c:27]([F:35])[c:26]([Br:25])[n:31]1)=[O:33]