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

HRID 200214

반응식

[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([OH:27])[c:8]2[n:9]([n:10]([CH2:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:11]1=[O:12])[cH:24][cH:25][cH:26]2)[CH3:3].[NH2:28][CH2:29][C:30](=[O:31])[O-:32].[Na+:33]>>[C:4](=[O:5])([c:6]1[c:7]([OH:27])[c:8]2[n:9]([n:10]([CH2:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:11]1=[O:12])[cH:24][cH:25][cH:26]2)[NH:28][CH2:29][C:30](=[O:31])[OH:32]

참가 물질

반응물 3

HCID 923Sodium ion

HCID 26066Glycinate

HCID 672306271-(3-Trifluoromethyl-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester

생성물 1

HCID 54751146{[1-(3-Trifluoromethyl-benzyl)-4-hydroxy-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carbonyl]-amino}-acetic acid

출처 및 근거

ORD 기록: ord-3df8670ca6304c8c81b8374a25c9deb6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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