HRID2315238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID63946580

未命名化合物

结构：O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12

HCID86607112

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)sc1S(=O)(=O)NCCN(C)C

HCID11996405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-363ea866ff5e4893be808b62a7b6b8be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:27][N:28]([CH2:29][CH2:30][NH:31][S:32](=[O:33])(=[O:34])[c:35]1[c:36]([CH3:41])[n:37][c:38]([NH2:40])[s:39]1)[CH3:42].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12](=[O:13])[OH:14])([F:25])[F:26]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[n:6][c:7]2[n:8]1[n:9][cH:10][c:11]2[C:12](=[O:14])[NH:40][c:38]1[n:37][c:36]([CH3:41])[c:35]([S:32]([NH:31][CH2:30][CH2:29][N:28]([CH3:27])[CH3:42])(=[O:33])=[O:34])[s:39]1)([F:25])[F:26]