HRID1124434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID7918

Acetic anhydride

C4H6O3

HCID24247

Perchloric acid

HClO4

结构：CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

HCID500165

4‐{7‐Hydroxy‐9a,11a‐dimethyl‐hexadecahydro‐1H‐ cyclopenta[a]phenanthren‐1‐yl}pentanoic acid

C24H40O3

PRODUCTS

生成物

结构：CC(CCC(=O)O)C1CCC2C3CCC4CC(OC=O)CCC4(C)C3CCC12C

HCID3711430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c66f603270bc4e1e933c5ca7814ddf2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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