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Acetic Acid → 2-[(2-Bromo-5-methoxybenzoyl)amino]-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]propanoic acid

HRID 1556647
Notes
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Reaction equation

HRID 1556647 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[c:8]1[c:9]([Br:16])[cH:10][cH:11][c:12]([O:14][CH3:15])[cH:13]1)[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25](=[O:31])[n:26]([CH3:30])[cH:27][cH:28][cH:29]2)[cH:22][cH:23]1)=[O:32].[CH3:36][OH:37].[CH3:38][C:39](=[O:40])[OH:41].[Li+:35].[OH-:34].[OH2:33].[OH2:47]>>[O:2]=[C:3]([CH:4]([NH:5][C:6](=[O:7])[c:8]1[c:9]([Br:16])[cH:10][cH:11][c:12]([O:14][CH3:15])[cH:13]1)[CH2:17][c:18]1[cH:19][cH:20][c:21](-[c:24]2[c:25](=[O:31])[n:26]([CH3:30])[cH:27][cH:28][cH:29]2)[cH:22][cH:23]1)[OH:32]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 22382044Methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]propanoate

Product 1

HCID 102063462-[(2-Bromo-5-methoxybenzoyl)amino]-3-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]propanoic acid

Sources & evidence

ORD record
ord-0eeaeffbc8784639bd75471c084f8ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes