HRID93176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14583857

未命名化合物

HCID67351077

1,2-Dihydro-5-(1-methylethyl)-4-[[2-methyl-4-(phenylmethoxy)phenyl]methyl]-3H-pyrazol-3-one

C21H24N2O2

HCID68535856

未命名化合物

PRODUCTS

产物

HCID178428941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7cf43151a6984980a96a9088202feae4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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