HRID207620

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

HCID46738774

tert-Butyl 4-bromo-2-fluorobenzoate

C11H12BrFO2

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(Oc2ccc(C(=O)OC(C)(C)C)c(F)c2)c2c(c1)OC(C)(C)C2

HCID59559856

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-360b29e6589745079fc987494984005e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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