HRID2325899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

HCID3003

未命名化合物

PRODUCTS

生成物

结构：CC1CC2C3CCC4=CC(=O)C=CC4(C)C34OC4CC2(C)C1(O)C(=O)CO

HCID91242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e217d01df5748c8af566228ef48a931
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:54]([O:55][CH2:56][C:57](=[O:58])[C:59]1([OH:60])[C:61]2([CH3:62])[CH:63]([CH:64]3[C:65](=[CH:66][CH2:67]2)[C:68]2([CH3:69])[C:70](=[CH:71][C:72](=[O:73])[CH:74]=[CH:75]2)[CH2:76][CH2:77]3)[CH2:78][C:79]1=[CH2:80])(=[O:81])[CH3:82].[C:83]([O:84][CH2:85][C:86](=[O:87])[C:88]1([OH:89])[C:90]2([CH3:91])[CH:92]([CH:93]3[C:94](=[CH:95][CH2:96]2)[C:97]2([CH3:98])[C:99](=[CH:100][C:101](=[O:102])[CH:103]=[CH:104]2)[CH2:105][CH2:106]3)[CH2:107][CH:108]1[CH3:109])(=[O:110])[CH3:111].[CH:1]12[CH2:2][CH:3]([CH3:4])[C:5]([OH:6])([C:7](=[O:8])[CH2:9][OH:10])[C:11]1([CH3:12])[CH2:13][CH:14]([OH:15])[C:16]1([F:17])[CH:18]2[CH2:19][CH2:20][C:21]2=[CH:22][C:23](=[O:24])[CH:25]=[CH:26][C:27]12[CH3:28].[OH:29][C:30]1([C:51](=[O:52])[CH3:53])[C:31]2([CH3:32])[CH:33]([CH:34]3[C:35](=[CH:36][CH2:37]2)[C:38]2([CH3:39])[C:40](=[CH:41][C:42](=[O:43])[CH:44]=[CH:45]2)[CH2:46][CH2:47]3)[CH2:48][C:49]1=[CH2:50]>>[CH:1]12[CH2:2][CH:3]([CH3:4])[C:5]([OH:6])([C:7](=[O:8])[CH2:9][OH:10])[C:11]1([CH3:12])[CH2:13][CH:14]1[O:15][C:16]13[CH:18]2[CH2:19][CH2:20][C:21]1=[CH:22][C:23](=[O:24])[CH:25]=[CH:26][C:27]31[CH3:28]