HRID2151508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID44754822

(5-Chloro-2-fluoropyridin-4-yl)boronic acid

C5H4BClFNO2

结构：COC1(CN(C(=O)OC(C)(C)C)c2cccc(Br)n2)CCOCC1

HCID58127385

未命名化合物

PRODUCTS

生成物

结构：COC1(CN(C(=O)OC(C)(C)C)c2cccc(-c3cc(F)ncc3Cl)n2)CCOCC1

HCID58127426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6728a6759c4c4736b0a0a41412a652b5
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][c:2]1[cH:3][cH:4][cH:5][c:6]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH2:16][C:17]2([O:23][CH3:24])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:7]1.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:25][c:26]1[c:27]([B:33]([OH:34])[OH:35])[cH:28][c:29]([F:32])[n:30][cH:31]1>>[c:2]1(-[c:27]2[c:26]([Cl:25])[cH:31][n:30][c:29]([F:32])[cH:28]2)[cH:3][cH:4][cH:5][c:6]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH2:16][C:17]2([O:23][CH3:24])[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:7]1