HRID1558219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1cc(-c2cc(C(F)F)n3ncc(C(=O)O)c3n2)ccc1C(F)(F)F

HCID66650674

未命名化合物

HCID86607098

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(-c2cc(C(F)F)n3ncc(C(=O)Nc4nc(C)c(S(=O)(=O)NC(C)(C)CO)s4)c3n2)ccc1C(F)(F)F

HCID11996115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e6226e9d3bc243f78b1201039ff01241
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][c:17]([CH3:25])[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:26].[OH:27][CH2:28][C:29]([CH3:30])([CH3:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[c:37]([CH3:42])[n:38][c:39]([NH2:41])[s:40]1>>[F:1][CH:2]([c:3]1[cH:4][c:5](-[c:15]2[cH:16][c:17]([CH3:25])[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:41][c:39]1[n:38][c:37]([CH3:42])[c:36]([S:33]([NH:32][C:29]([CH2:28][OH:27])([CH3:30])[CH3:31])(=[O:34])=[O:35])[s:40]1)[F:26]