HRID2151706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(-c2nc3cc(F)c(F)cc3n2C(COc2ccc(C(=O)O)cn2)C2CCCCC2)c(OC)n1

HCID46185719

6-{2-Cyclohexyl-2-[2-(2,6-dimethoxy-pyridin-3-yl)-5,6-difluoro-benzoimidazol-1-yl]-ethoxy}-nicotinic acid

C28H28F2N4O5

HCID53847253

Methyl 3,5-difluoro-4-hydroxybenzoate

C8H6F2O3

PRODUCTS

生成物

结构：COC(=O)c1cc(F)c(OCC(C2CCCCC2)n2c(-c3ccc(OC)nc3OC)nc3cc(F)c(F)cc32)c(F)c1

HCID66619338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c0bb7e90e2d4c5db6573cb1873e48c0
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

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