HRID97825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3811910

2,5-dimethyl-3-piperazin-1-ylpyrazine

C10H16N4

结构：O=C(O)C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C(=O)N1c1ccccc1

HCID67141210

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4C(F)(F)F)C(=O)N3c3ccccc3)CC2)n1

HCID25027494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf7ba06d08449fc9044bc596983f62e
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

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