HRID121025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C

HCID1027

未命名化合物

HCID5943

Carbon tetrachloride

CCl4

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

PRODUCTS

生成物

HCID313043

3-Hydroxypregna-5,7-dien-20-one

C21H30O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6959b43f15c4263a72268d5960c72dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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