HRID292140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2758810

ethyl 6-bromopyridine-2-carboxylate

C8H8BrNO2

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(O)(c1ccc2oc(=O)n(C)c2c1)C(F)(F)F

HCID66697095

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(-c2ccc(C(C)C(O)(c3ccc4oc(=O)n(C)c4c3)C(F)(F)F)c(Cl)c2)n1

HCID66697036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd641f26d189435ea7b4f3f46306bacd
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

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