Water → [5-Methoxy-2-methyl-4-(4'-trifluoromethyl-biphenyl-4-ylmethanesulfinyl)-phenoxy]-acetic acid

HRID 292553Notes

Reaction equation

HRID 292553 reaction equation
[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([S:14](=[O:15])[CH2:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[c:10]([O:12][CH3:13])[cH:11]1)=[O:34].[CH3:35][O:36][c:37]1[c:38]([S:39][CH2:40][c:41]2[cH:42][cH:43][c:44](-[c:45]3[cH:46][cH:47][c:48]([C:49]([F:50])([F:51])[F:52])[cH:53][cH:54]3)[cH:55][cH:56]2)[cH:57][c:58]([CH3:59])[c:60]([O:62][CH2:63][C:64]([OH:65])=[O:66])[cH:61]1.[Cl:86][CH2:87][Cl:88].[OH2:85].[c:67]1([S:68]([N:69]2[CH:70]([c:71]3[cH:72][cH:73][cH:74][cH:75][cH:76]3)[O:77]2)(=[O:78])=[O:79])[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[O:2]=[C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:33])[cH:8][c:9]([S:14](=[O:15])[CH2:16][c:17]2[cH:18][cH:19][c:20](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[cH:21][cH:22]2)[c:10]([O:12][CH3:13])[cH:11]1)[OH:34]

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 3204052-(Benzenesulfonyl)-3-phenyloxaziridineHCID 9825600[5-Methoxy-2-methyl-4-(4'-trifluoromethyl-biphenyl-4-ylmethylsulfanyl)-phenoxy]-acetic acidHCID 20827054[5-Methoxy-2-methyl-4-(4'-trifluoromethyl-biphenyl-4-ylmethanesulfinyl)-phenoxy]-acetic acid methyl ester

Product 1

HCID 22280006[5-Methoxy-2-methyl-4-(4'-trifluoromethyl-biphenyl-4-ylmethanesulfinyl)-phenoxy]-acetic acid

Sources & evidence

ORD record
ord-6d70ddb2a6024d21abf2f3dafd0d5d11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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