HRID1548853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

5 次

HCID784

Hydrogen peroxide

H2O2

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID4532223

未命名化合物

结构：CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccc(SC)nc3)C2=O)c1

HCID59201067

未命名化合物

PRODUCTS

生成物

结构：CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccc(S(C)(=O)=O)nc3)C2=O)c1

HCID59200984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a382d399d71542038ac51ebdd108b080
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

[CH3:47][OH:48].[Cl-:49].[Cl-:51].[Cl-:52].[Cl-:53].[Cl-:54].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][c:11]([CH2:39][CH2:40][CH3:41])[c:12]([O:13][c:14]2[cH:15][c:16]([CH2:17][N:18]3[C:19](=[O:33])[NH:20][C:21]([c:24]4[cH:25][n:26][c:27]([S:30][CH3:31])[cH:28][cH:29]4)([CH3:32])[C:22]3=[O:23])[cH:34][cH:35][cH:36]2)[cH:37][cH:38]1)([F:42])[F:43].[OH2:46].[OH:44][OH:45].[Ta+5:50]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][c:11]([CH2:39][CH2:40][CH3:41])[c:12]([O:13][c:14]2[cH:15][c:16]([CH2:17][N:18]3[C:19](=[O:33])[NH:20][C:21]([c:24]4[cH:25][n:26][c:27]([S:30]([CH3:31])(=[O:46])=[O:48])[cH:28][cH:29]4)([CH3:32])[C:22]3=[O:23])[cH:34][cH:35][cH:36]2)[cH:37][cH:38]1)([F:42])[F:43]