Benzene → 4-(2-Acetoxy-ethoxy)-6-(4-tert.butyl-phenyl-sulphonylamino)-5-(3-methoxy-phenoxy)-pyrimidine-2-carboxylic acid

HRID 179425Notes

Reaction equation

HRID 179425 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][c:10]([CH:37]=[O:38])[n:11][c:12]([NH:23][S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:31][cH:32]2)[c:13]1[O:14][c:15]1[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][cH:20]1.[K+:44].[Mn:39](=[O:40])([O-:41])(=[O:42])=[O:43].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][c:10]([C:37](=[O:38])[OH:40])[n:11][c:12]([NH:23][S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][c:30]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:31][cH:32]2)[c:13]1[O:14][c:15]1[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][cH:20]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 813Potassium CationHCID 24401PermanganateHCID 572959612-[6-(4-Tert.butyl-phenylsulphonylamino)-2-formyl-5-(3-methoxy-phenoxy)-pyrimidin-4-yloxy]-ethyl acetate

Product 1

HCID 572613504-(2-Acetoxy-ethoxy)-6-(4-tert.butyl-phenyl-sulphonylamino)-5-(3-methoxy-phenoxy)-pyrimidine-2-carboxylic acid

Sources & evidence

ORD record
ord-c02030727aa14a9391fb64ab28f158ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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