HRID99569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16128842

2-Fluoro-4-(methanesulfonyl)phenol

C7H7FO3S

结构：CCc1cnc(N2CCC(n3cc(COS(C)(=O)=O)c(C(F)(F)F)n3)CC2)nc1

HCID57708363

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N2CCC(n3cc(COc4ccc(S(C)(=O)=O)cc4F)c(C(F)(F)F)n3)CC2)nc1

HCID25175085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51d6cc61d97c49b5ad5853123b17817f
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

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