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Methanol → 1-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid

HRID 2333048
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HRID 2333048 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][n:8][n:9]([CH2:11][CH:12]2[CH2:13][N:14]([c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[C:15](=[O:17])[CH2:16]2)[cH:10]1.[CH3:30][OH:31].[Na+:29].[OH-:28].[OH2:32]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][n:8][n:9]([CH2:11][CH:12]2[CH2:13][N:14]([c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[C:15](=[O:17])[CH2:16]2)[cH:10]1
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 579887781-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid ethyl ester

생성물 1

HCID 579887561-[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-ylmethyl]-1H-pyrazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-1fb46f75cf394349b8446162b2d24fa7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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