HRID303895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

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：Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4C(F)(F)F)C(=O)N3c3ccccc3)CC2)c1

HCID25027934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-918dd24e1fc04518b5cb4e9be26a7912
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:29][c:30]1[c:31]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:32][c:33]([CH3:36])[cH:34][cH: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:14])[N:40]2[CH2:39][CH2:38][N:37]([c:31]3[c:30]([CH3:29])[cH:35][cH:34][c:33]([CH3:36])[cH:32]3)[CH2:42][CH2:41]2)[N:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1