HRID944445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID971

Oxalic acid

C2H2O4

HCID5943

Carbon tetrachloride

CCl4

HCID7918

Acetic anhydride

C4H6O3

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(OC(C)=O)CCC32)C1

HCID540889

未命名化合物

HCID178454389

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2(C)C(=CC(=O)C3C2CCC2(C)C(OC(C)=O)CCC32)C1

HCID273127

7-Oxoandrost-5-ene-3,17-diyl diacetate

C23H32O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16804589ac044ec6b2d5a11ba33004c7
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:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([O:24][C:25]([CH3:26])=[O:27])[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1.[C:56]([Cl:57])([Cl:58])([Cl:59])[Cl:60].[CH3:28][C:29](=[O:30])[O:31][C:32](=[O:33])[CH3:34].[CH3:50][OH:51].[CH3:52][C:53](=[O:54])[OH:55].[Cr:35]([O-:36])([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])(=[O:42])=[O:43].[OH:44][C:45]([C:46](=[O:47])[OH:48])=[O:49]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][C:9](=[O:30])[CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([O:24][C:25]([CH3:26])=[O:27])[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1