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proline dl-form → 1-[3-Acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butyryl]-pyrrolidine-2-carboxylic acid

HRID 294195
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HRID 294195 반응식
[C:48]([CH3:49])(=[S:50])[O-:51].[CH2:54]([OH:55])[CH3:56].[F:1][c:2]1[cH:3][c:4]([C:10]([CH2:11][CH2:12][C:13]([OH:14])=[O:15])=[O:16])[cH:5][cH:6][c:7]1[O:8][CH3:9].[F:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[CH2:31][CH2:32][C:33](=[O:34])[N:35]2[CH:36]([C:37](=[O:38])[OH:39])[CH2:40][CH2:41][CH2:42]2)[cH:43][cH:44][c:45]1[O:46][CH3:47].[K+:52].[OH2:53].[OH:17][C:18]([CH:19]1[NH:20][CH2:21][CH2:22][CH2:23]1)=[O:24]>>[F:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[CH:31]([CH2:32][C:33](=[O:34])[N:35]2[CH:36]([C:37](=[O:38])[OH:39])[CH2:40][CH2:41][CH2:42]2)[S:50][C:48]([CH3:49])=[O:51])[cH:43][cH:44][c:45]1[O:46][CH3:47]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 614proline dl-formHCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 676713-(3-Fluoro-4-methoxybenzoyl)propionic acidHCID 233376091-[4-(3-Fluoro-4-methoxyphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acidHCID 178476994HCID 178476994, 화합물

생성물 1

HCID 233376031-[3-Acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butyryl]-pyrrolidine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-6ae6a872882d4561965826eacc9dc7ff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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