HRID97016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

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

HCID262961

未命名化合物

PRODUCTS

生成物

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

HCID296381

20-Oxopregnan-3-yl acetate

C23H36O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-051a30d338b54090bc1a135e96531b9a
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

[CH3:43][C:44]([OH:45])=[O:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]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][CH2:17][CH:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[O: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][CH2:17][CH:18]3[C:19]2([CH3:22])[CH2:20][CH2:21]1)[C:44]([CH3:43])=[O:45]