HRID104159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12296

4-Methylpentan-1-ol

C6H14O

结构：Cc1ccc(S(=O)(=O)Oc2c(-c3ccc(S(C)(=O)=O)cc3)cnn(-c3ccc(F)c(F)c3)c2=O)cc1

HCID21934008

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCOc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)c(F)c2)c1=O

HCID21933991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a22885c6a984c6aa6cd57213b839f13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:37][CH:38]([CH2:39][CH2:40][CH2:41][OH:42])[CH3:43].[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[c:13]([O:16][S:17]([c:18]3[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]3)(=[O:25])=[O:26])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8]>>[F:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][cH:11][c:12](-[c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]3)[c:13]([O:16][CH2:41][CH2:40][CH2:39][CH:38]([CH3:37])[CH3:43])[c:14]2=[O:15])[cH:5][cH:6][c:7]1[F:8]