HRID1547586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2769400

4-ethoxy-2,3-difluorobenzoic acid

C9H8F2O3

HCID3126231

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCC(c2ccc(OC(=O)c3ccc(OCC)c(F)c3F)cc2)CC1

HCID18547377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-001f43922b404efea46a17584b353843
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

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