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

HRID 85797

Reaction equation

HRID 85797 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]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:32])[n:26]([CH3:31])[cH:27][c:28]([Br:30])[cH:29]2)[cH:22][cH:23]1)=[O:33].[CH3:37][OH:38].[CH3:39][C:40](=[O:41])[OH:42].[Li+:36].[OH-:35].[OH2:34].[OH2:48]>>[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:32])[n:26]([CH3:31])[cH:27][c:28]([Br:30])[cH:29]2)[cH:22][cH:23]1)[OH:33]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 22382032Methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-[4-(5-bromo-1-methyl-2-oxo-3-pyridinyl)phenyl]propanoate

Product 1

HCID 101204812-[(2-Bromo-5-methoxybenzoyl)amino]-3-[4-(5-bromo-1-methyl-2-oxo-3-pyridinyl)phenyl]propanoic acid

Sources & evidence

ORD record
ord-f73d647a93da43718bde1ed460026513
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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