HRID1563267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

反应SMILES：CC(C)S(=O)(=O)N1CC(C(=O)O)N(c2ccc(F)cc2F)C1=O

HCID67141181

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)C(C)C)C(=O)N3c3ccc(F)cc3F)CC2)c1

HCID25027496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-990b1cf06d1b4f43b476caba931332c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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