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

HRID 194559

반응식

HRID 194559 반응식
[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][cH:16][c:17]([F:20])[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][cH:16][c:17]([F:20])[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]

참가 물질

4

반응물 3

HCID 923Sodium ionHCID 26066GlycinateHCID 672304121-(4-Fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester

생성물 1

HCID 54751136{[1-(4-Fluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid

출처 및 근거

ORD 기록
ord-51f47057ebfb4b8089c28e111a4b1f7c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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