HRID318087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86607105

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：CC(C)(CO)NS(=O)(=O)c1cnc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)s1

HCID11996555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dbc81337a98402fbff3eff9a2e57965
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

[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].[OH:27][CH2:28][C:29]([CH3:30])([CH3:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[cH:37][n:38][c:39]([NH2:41])[s:40]1>>[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])[NH:41][c:39]1[n:38][cH:37][c:36]([S:33]([NH:32][C:29]([CH2:28][OH:27])([CH3:30])[CH3:31])(=[O:34])=[O:35])[s:40]1)([F:25])[F:26]