m-Chloroperbenzoic acid → {3-[4-(2,2-Dimethyl-propionylamino)-2-(2-methyl-propane-2-sulfinylmethyl)-phenoxy]-4-hydroxy-phenyl}-acetic acid

HRID 1223343Notes

Reaction equation

HRID 1223343 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][CH2:6][c:7]1[c:8]([O:9][c:10]2[cH:11][c:12]([CH2:17][C:18](=[O:19])[OH:20])[cH:13][cH:14][c:15]2[OH:16])[cH:21][cH:22][c:23]([NH:25][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:24]1.[OH:32][O:33][C:34]([c:35]1[cH:36][c:37]([Cl:38])[cH:39][cH:40][cH:41]1)=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5]([CH2:6][c:7]1[c:8]([O:9][c:10]2[cH:11][c:12]([CH2:17][C:18](=[O:19])[OH:20])[cH:13][cH:14][c:15]2[OH:16])[cH:21][cH:22][c:23]([NH:25][C:26]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:24]1)=[O:32]

Participants

3

Reactant 2

HCID 70297m-Chloroperbenzoic acidHCID 44600128{3-[2-tert-Butylsulfanylmethyl-4-(2,2-dimethyl-propionylamino)-phenoxy]-4-hydroxy-phenyl}-acetic acid

Product 1

HCID 44600129{3-[4-(2,2-Dimethyl-propionylamino)-2-(2-methyl-propane-2-sulfinylmethyl)-phenoxy]-4-hydroxy-phenyl}-acetic acid

Sources & evidence

ORD record
ord-28ce4545a91742b0b436071c282be0d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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