HRID97646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID51358567

tert-Butyl 4,7-diazaspiro[2.5]octane-4-carboxylate

C11H20N2O2

结构：CCCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID86654589

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2=NC(=O)C(=Cc3ccc4c(cnn4Cc4ccc(C(F)(F)F)cc4C(F)(F)F)c3)S2)CC12CC2

HCID86654588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-049018c563a34c9f8c74d84506bfc1d8
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:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]1[C:44]2([CH2:45][CH2:46]2)[CH2:47][NH:48][CH2:49][CH2:50]1.[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:48]5[CH2:47][C:44]6([N:43]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])[CH2:50][CH2:49]5)[CH2:45][CH2:46]6)[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]