HRID1565514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86607101

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)NC(C)(CO)CO

HCID11996558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f5fb1ce441f45ff88f5374800eae0cd
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][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])([CH2:31][OH:32])[NH:33][S:34](=[O:35])(=[O:36])[c:37]1[c:38]([CH3:43])[n:39][c:40]([NH2:42])[s:41]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:42][c:40]1[n:39][c:38]([CH3:43])[c:37]([S:34]([NH:33][C:29]([CH2:28][OH:27])([CH3:30])[CH2:31][OH:32])(=[O:35])=[O:36])[s:41]1)([F:25])[F:26]