HRID86943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID24247

Perchloric acid

HClO4

HCID31275

1,4-Dioxane

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3=CCC12C

HCID178465879

1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

C21H32O2

PRODUCTS

生成物

结构：CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C34OC4CC12C

HCID178465877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-185a069a72134d2e9d945278c39ff504
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:24][N:25]1[C:26](=[O:28])[CH2:29][CH2:30][C:31]1=[O:27].[CH3:46][C:47](=[O:48])[OH:49].[Cl+3:32]([OH:33])([O-:34])([O-:35])[O-:36].[Na+:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH-:37].[OH2:45].[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:23])[CH2:16][CH:17]=[C:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1>>[OH:1][CH:2]1[CH2:3][CH:4]2[CH2:5][CH2:6][CH:7]3[CH:8]4[CH2:9][CH2:10][CH:11]([C:12]([CH3:13])=[O:14])[C:15]4([CH3:23])[CH2:16][CH:17]4[C:18]3([C:19]2([CH3:22])[CH2:20][CH2:21]1)[O:27]4