HRID193228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22253025

2-Fluoro-3-(2-oxo-1-pyrrolidinyl)-5-(trifluoromethyl)benzoic acid

C12H9F4NO3

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)cc(N2CCCC2=O)c1)C(=O)NCCC(C)(C)C

HCID22253049

未命名化合物

结构：CC(CC(O)C(N)Cc1ccccc1)C(=O)NC1CC2CCC1C2

HCID178450599

未命名化合物

PRODUCTS

生成物

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)cc(N2CCCC2=O)c1F)C(=O)NC1CC2CCC1C2

HCID22253043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9566f12b5164f9f8fca31300a43c10b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH:2]([NH:3][C:4](=[O:5])[c:6]1[cH:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][c:16]([N:17]2[CH2:18][CH2:19][CH2:20][C:21]2=[O:22])[cH:23]1)[CH:24]([OH:25])[CH2:26][CH:27]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH3:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:64]12[CH:65]([NH:71][C:72]([CH:73]([CH2:74][CH:75]([CH:76]([CH2:77][c:78]3[cH:79][cH:80][cH:81][cH:82][cH:83]3)[NH2:84])[OH:85])[CH3:86])=[O:87])[CH2:66][CH:67]([CH2:68][CH2:69]1)[CH2:70]2.[F:44][c:45]1[c:46]([C:47](=[O:48])[OH:49])[cH:50][c:51]([C:60]([F:61])([F:62])[F:63])[cH:52][c:53]1[N:54]1[C:55](=[O:59])[CH2:56][CH2:57][CH2:58]1>>[F:44][c:45]1[c:46]([C:47](=[O:49])[NH:84][CH:76]([CH:75]([CH2:74][CH:73]([C:72]([NH:71][CH:65]2[CH:64]3[CH2:69][CH2:68][CH:67]([CH2:66]2)[CH2:70]3)=[O:87])[CH3:86])[OH:85])[CH2:77][c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:50][c:51]([C:60]([F:61])([F:62])[F:63])[cH:52][c:53]1[N:54]1[C:55](=[O:59])[CH2:56][CH2:57][CH2:58]1