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

HRID 167165

Reaction equation

HRID 167165 reaction equation
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([OH:24])[c:8]2[n:9]([n:10]([CH2:13][c:14]3[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]3)[c:11]1=[O:12])[cH:21][cH:22][cH:23]2)[CH3:3].[NH2:25][CH2:26][C:27](=[O:28])[O-:29].[Na+:30]>>[C:4](=[O:5])([c:6]1[c:7]([OH:24])[c:8]2[n:9]([n:10]([CH2:13][c:14]3[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]3)[c:11]1=[O:12])[cH:21][cH:22][cH:23]2)[NH:25][CH2:26][C:27](=[O:28])[OH:29]

Participants

4

Reactant 3

HCID 923Sodium ionHCID 26066GlycinateHCID 672304911-(3-Chloro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester

Product 1

HCID 54751141{[1-(3-Chloro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid

Sources & evidence

ORD record
ord-50ef0f6444e94d82858f3fb667efd6dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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