HRID151733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25067323

Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

C12H14O4

HCID53432588

tert-Butyl 4-bromo-2,6-difluorobenzoate

C11H11BrF2O2

结构：COC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)cc2)c2c(c1)OC(C)(C)C2

HCID59560251

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Oc2cc(F)c(C(=O)OC(C)(C)C)c(F)c2)c2c(c1)OC(C)(C)C2

HCID59560426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6bd4913a8d24a10b92261498a885bf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50]([c:51]1[c:52]([F:59])[cH:53][c:54]([Br:58])[cH:55][c:56]1[F:57])=[O:60].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([C:12]([N:13]3[CH2:14][CH2:15][CH2:16]3)=[O:17])[cH:18][cH:19]2)[c:20]2[c:26]([cH:27]1)[O:25][C:22]([CH3:23])([CH3:24])[CH2:21]2)=[O:28].[CH3:29][O:30][C:31](=[O:32])[c:33]1[cH:34][c:35]2[c:36]([c:42]([OH:44])[cH:43]1)[CH2:37][C:38]([CH3:40])([CH3:41])[O:39]2>>[CH3:29][O:30][C:31](=[O:32])[c:33]1[cH:34][c:35]2[c:36]([c:42]([O:44][c:54]3[cH:53][c:52]([F:59])[c:51]([C:50]([O:49][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:60])[c:56]([F:57])[cH:55]3)[cH:43]1)[CH2:37][C:38]([CH3:40])([CH3:41])[O:39]2