HRID687841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

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

HCID541276

未命名化合物

PRODUCTS

生成物

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

HCID304

Cholest-5-en-3-ol

C27H46O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc7412a87aa340f99ed98cdd82aa16ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]1[CH2:2][CH2:3][C:4]2=[N:9][CH2:8][CH2:7][CH2:6][N:5]2[CH2:10][CH2:11]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH2:48]([Cl:49])[Cl:50].[Cl:12][C:13](=[O:14])[O:15][CH:16]1[CH2:17][C:18]2=[CH:19][CH2:20][CH:21]3[CH:22]4[CH2:23][CH2:24][CH:25]([CH:26]([CH2:27][CH2:28][CH2:29][CH:30]([CH3:31])[CH3:32])[CH3:33])[C:34]4([CH3:42])[CH2:35][CH2:36][CH:37]3[C:38]2([CH3:41])[CH2:39][CH2:40]1.[n:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[OH:15][CH:16]1[CH2:17][C:18]2=[CH:19][CH2:20][CH:21]3[CH:22]4[CH2:23][CH2:24][CH:25]([CH:26]([CH2:27][CH2:28][CH2:29][CH:30]([CH3:31])[CH3:32])[CH3:33])[C:34]4([CH3:42])[CH2:35][CH2:36][CH:37]3[C:38]2([CH3:41])[CH2:39][CH2:40]1