HRID1569446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13152035

1,3-Dimethylpiperazine

C6H14N2

结构：CCSC1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID86654540

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C)CCN1C1=NC(=O)C(=Cc2ccc3c(cnn3Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c2)S1

HCID123373178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52d3d73252e041ed961aeed7d34c588f
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

[CH3:35][N:36]1[CH2:37][CH:38]([CH3:42])[NH:39][CH2:40][CH2:41]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:24])[N:18]=[C:19]([S:21][CH2:22][CH3:23])[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]>>[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:24])[N:18]=[C:19]([N:39]5[CH:38]([CH3:42])[CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]5)[S:20]4)[cH:12][cH:13][c:14]23)[cH:25][cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]