Sodium ion → {[6,7-Dichloro-1-(4-fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid

HRID 204623

Reaction equation

HRID 204623 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([OH:25])[c:7]2[n:8]([n:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[c:10]1=[O:11])[c:20]([Cl:24])[c:21]([Cl:23])[cH:22]2.[NH2:26][CH2:27][C:28](=[O:29])[O-:30].[Na+:31]>>[C:3](=[O:4])([c:5]1[c:6]([OH:25])[c:7]2[n:8]([n:9]([CH2:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[c:10]1=[O:11])[c:20]([Cl:24])[c:21]([Cl:23])[cH:22]2)[NH:26][CH2:27][C:28](=[O:29])[OH:30]

Participants

4

Reactant 3

HCID 923Sodium ionHCID 26066GlycinateHCID 672309196,7-Dichloro-1-(4-fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid methyl ester

Product 1

HCID 54751172{[6,7-Dichloro-1-(4-fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid

Sources & evidence

ORD record
ord-1b981c5deb3544d590409bf436db9efe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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