HRID959610

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID965

Octadec-9-enoic acid

C18H34O2

HCID1049

Pyridine

C5H5N

结构：CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

HCID3003

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

PRODUCTS

生成物

结构：CCCCCCCCC=CCCCCCCCC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C

HCID75303375

Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxo-9-octadecenyl)oxy]-, [11β,16α,21(Z)]-

C40H61FO6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfe6831b6bc84418b9f84ef45702f531
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH:38]=[CH:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])(=[O:48])[OH:49].[CH3:50][OH:51].[Cl-:29].[F:1][C:2]12[C:3]3([CH3:28])[CH:4]=[CH:5][C:6](=[O:27])[CH:7]=[C:8]3[CH2:9][CH2:10][CH:11]1[CH:12]1[CH2:13][CH:14]([CH3:26])[C:15]([C:16]([CH2:17][OH:18])=[O:19])([OH:25])[C:20]1([CH3:24])[CH2:21][CH:22]2[OH:23].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[F:1][C:2]12[C:3]3([CH3:28])[CH:4]=[CH:5][C:6](=[O:27])[CH:7]=[C:8]3[CH2:9][CH2:10][CH:11]1[CH:12]1[CH2:13][CH:14]([CH3:26])[C:15]([C:16]([CH2:17][O:18][C:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH:38]=[CH:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47])=[O:48])=[O:19])([OH:25])[C:20]1([CH3:24])[CH2:21][CH:22]2[OH:23]