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

HRID 190344

반응식

HRID 190344 반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([OH:25])[c:8]2[n:9]([n:10]([CH2:13][c:14]3[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]3[F:20])[c:11]1=[O:12])[cH:22][cH:23][cH:24]2)[CH3:3].[NH2:26][CH2:27][C:28](=[O:29])[O-:30].[Na+:31]>>[C:4](=[O:5])([c:6]1[c:7]([OH:25])[c:8]2[n:9]([n:10]([CH2:13][c:14]3[c:15]([F:21])[cH:16][cH:17][cH:18][c:19]3[F:20])[c:11]1=[O:12])[cH:22][cH:23][cH:24]2)[NH:26][CH2:27][C:28](=[O:29])[OH:30]

참가 물질

4

반응물 3

HCID 923Sodium ionHCID 26066GlycinateHCID 672307581-(2,6-Difluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester

생성물 1

HCID 54751148{[1-(2,6-Difluoro-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid

출처 및 근거

ORD 기록
ord-85d1476e6b684e20af5d0340d99fc434
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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