HRID2348152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID784

Hydrogen peroxide

H2O2

HCID13529

2H-Perfluoro-2-propanol

C3H2F6O

结构：CSc1ccc(N2CCc3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc32)c(F)c1

HCID58016998

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)N1CCC(Oc2ncnc3c2CCN3c2ccc(S(C)=O)cc2F)CC1

HCID58017055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8d6bd57d54c40a3905301a3ccfa674b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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