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Hydroxide → 3-[3-tert-Butyl-4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]-2-ethoxypropanoic acid

HRID 687659
Notes
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Reaction equation

HRID 687659 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:25][CH:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[O:32][CH2:33][CH3:34])[cH:8][cH:9][c:10]1[O:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][S:21](=[O:22])(=[O:23])[CH3:24])[cH:18][cH:19]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[Li+:35].[OH-:36].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:25][CH:26]([C:27](=[O:28])[OH:29])[O:32][CH2:33][CH3:34])[cH:8][cH:9][c:10]1[O:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][S:21](=[O:22])(=[O:23])[CH3:24])[cH:18][cH:19]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 10300195Ethyl 3-[3-tert-butyl-4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]-2-ethoxypropanoate

Product 1

HCID 22708407
3-[3-tert-Butyl-4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]-2-ethoxypropanoic acid

Sources & evidence

ORD record
ord-31f649be29a94c9abe6ba18962ffb98b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes