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Hydrogen Peroxide → 3-bromo-2-(ethoxycarbonyl)-1-isobutyl-1H-indole-5-carboxylic acid

HRID 2329524
Notes
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Reaction equation

HRID 2329524 reaction equation
[Br:1][c:2]1[c:3]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[n:4]([CH2:13][CH:14]([CH3:15])[CH3:16])[c:5]2[cH:6][cH:7][c:8]([CH:11]=[O:12])[cH:9][c:10]12.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][C:41]#[N:42].[Cl+:30]([O-:31])[O-:32].[Na+:29].[Na+:33].[OH2:22].[OH2:23].[OH2:43].[OH:44][OH:45].[P:24](=[O:25])([O-:26])([OH:27])[OH:28]>>[Br:1][c:2]1[c:3]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[n:4]([CH2:13][CH:14]([CH3:15])[CH3:16])[c:5]2[cH:6][cH:7][c:8]([C:11](=[O:12])[OH:25])[cH:9][c:10]12
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 784Hydrogen PeroxideHCID 923Sodium Ion2×HCID 962Water3×HCID 1003DihydrogenphosphateHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 197148Chlorite
HCID 17816525
ethyl 3-bromo-5-formyl-1-isobutyl-1H-indole-2-carboxylate

Product 1

HCID 178165173-bromo-2-(ethoxycarbonyl)-1-isobutyl-1H-indole-5-carboxylic acid

Sources & evidence

ORD record
ord-ca593d8cd8b14027a46a639a97373735
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes