HRID209495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61739075

未命名化合物

HCID86654589

未命名化合物

PRODUCTS

产物

HCID76756433

Methyl 2-[[4-[5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]morpholine-2-carbonyl]amino]acetate

C28H23F6N5O5S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-641dcea5caab45039c220c502449dda5
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

[CH3:36][O:37][C:38]([CH2:39][NH:40][C:41](=[O:42])[CH:43]1[O:44][CH2:45][CH2:46][NH:47][CH2:48]1)=[O:49].[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:25])[N:18]=[C:19]([S:21][CH2:22][CH2:23][CH3:24])[S:20]4)[cH:12][cH:13][c:14]23)[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]>>[F:1][C:2]([c:3]1[c:4]([CH2:5][n:6]2[n:7][cH:8][c:9]3[cH:10][c:11]([CH:15]=[C:16]4[C:17](=[O:25])[N:18]=[C:19]([N:47]5[CH2:46][CH2:45][O:44][CH:43]([C:41]([NH:40][CH2:39][C:38]([O:37][CH3:36])=[O:49])=[O:42])[CH2:48]5)[S:20]4)[cH:12][cH:13][c:14]23)[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]