HRID1545598

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

HCID59351120

1-Azetidinyl(4-bromo-2-fluorophenyl)methanone

C10H9BrFNO

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)N3CCC3)c(F)c2)c2c(c1)OC(C)(C)C2

HCID59559938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-290db1c7c4504f8cbbb13095bcfb0ca2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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