HRID1138213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID667619

1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine

C10H11ClF3N3

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：O=C(C1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C(=O)N1c1ccccc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

HCID25029766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9879d5c0dd2a49bcae8951b63c3233bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Cl:29][c:30]1[c:31]([N:40]2[CH2:41][CH2:42][NH:43][CH2:44][CH2:45]2)[n:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[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:43]2[CH2:42][CH2:41][N:40]([c:31]3[c:30]([Cl:29])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33][n:32]3)[CH2:45][CH2:44]2)[N:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1