HRID167744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67924

Ethyl trifluoromethanesulphonate

C3H5F3O3S

HCID98898

2,6-Di-tert-butyl-4-methylpyridine

C14H23N

结构：Cc1cc(CCCC(CC(=O)O)C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)(C)C)ccc1Oc1ccccc1

HCID9893988

未命名化合物

HCID22950085

未命名化合物

PRODUCTS

生成物

HCID22950084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ef845e703574bb7bebdc9592f7b1549
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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