HRID2329690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID58539686

Ethyl 5-bromo-6-methoxy-3-pyridineacetate

C10H12BrNO3

结构：CCN(Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1

HCID66603618

(Ethyl)[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethylbenzyl]carbamic acid benzyl ester

C24H29BF3NO4

PRODUCTS

生成物

结构：CCOC(=O)Cc1cnc(OC)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)OCc2ccccc2)c1

HCID67212435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9197ded543345ff90a8f90cb514cf72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][c:12]1[c:13]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)[CH2:31][CH3:32])=[O:33].[CH2:34]([CH3:35])[O:36][C:37]([CH2:38][c:39]1[cH:40][n:41][c:42]([O:46][CH3:47])[c:43]([Br:45])[cH:44]1)=[O:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][c:12]1[c:13](-[c:43]2[c:42]([O:46][CH3:47])[n:41][cH:40][c:39]([CH2:38][C:37]([O:36][CH2:34][CH3:35])=[O:48])[cH:44]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)[CH2:31][CH3:32])=[O:33]