HRID829151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID304

Cholest-5-en-3-ol

C27H46O

HCID440

CERAPP_28175

C27H44O

HCID6569

Methyl ethyl ketone

C4H8O

HCID11597

1-Hexene

C6H12

结构：CC(C=O)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C

HCID178459063

未命名化合物

PRODUCTS

生成物

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

HCID86821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6b2bcbc4c064184b191ac5acc9ae5a4
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:29]=[CH:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH2:91]([C:92]([CH3:93])=[O:94])[CH3:95].[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][CH:18]([OH:19])[CH2:20][CH2:21][C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28].[CH3:35][CH:36]([CH2:37][CH2:38][CH2:39][CH:40]([CH:41]1[C:42]2([CH3:43])[CH:44]([CH:45]3[CH:46]([CH2:47][CH2:48]2)[C:49]2([CH3:50])[C:51](=[CH:52][C:53](=[O:54])[CH2:55][CH2:56]2)[CH2:57][CH2:58]3)[CH2:59][CH2:60]1)[CH3:61])[CH3:62].[CH3:63][CH:64]([CH2:65][CH2:66][CH2:67][CH:68]([CH:69]1[C:70]2([CH3:71])[CH:72]([CH:73]3[CH:74]([CH2:75][CH2:76]2)[C:77]2([CH3:78])[CH:79]([CH2:80][CH2:81][CH2:82][CH2:83]2)[CH2:84][CH2:85]3)[CH2:86][CH2:87]1)[CH3:88])[CH:89]=[O:90]>>[CH3:1][CH:2]([CH3:3])[CH:4]([CH2:5][CH2:6][CH:7]([CH3:8])[CH:9]1[CH2:10][CH2:11][CH:12]2[CH:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][CH:18]([OH:19])[CH2:20][CH2:21][C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28])[CH2:29][CH3:30]