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Acetic Acid → 4-(3-Bromo-5-tert-butoxy-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester

HRID 676854
Notes
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Reaction equation

HRID 676854 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][S-:2].[CH3:31][C:32](=[O:33])[OH:34].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH3:4][O:5][C:6](=[O:7])[c:8]1[s:9][c:10]([N+:28]([O-:29])=[O:30])[c:11]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([Br:27])[cH:19][c:20]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21]2)[cH:12]1.[Na+:3]>>[CH3:1][S:2][c:10]1[s:9][c:8]([C:6]([O:5][CH3:4])=[O:7])[cH:12][c:11]1[S:13](=[O:14])(=[O:15])[c:16]1[cH:17][c:18]([Br:27])[cH:19][c:20]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:21]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 519392MercaptomethanideHCID 695864664-(3-Bromo-5-tert-butoxy-benzenesulfonyl)-5-nitro-thiophene-2-carboxylic acid methyl ester

Product 1

HCID 21057173
4-(3-Bromo-5-tert-butoxy-benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-1fec1571131149ffababa59c0bbcbc21
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