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Sodium Ion → 2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-(1-cyano-1-hydroxy-3-phenylpropan-2-yl)acetamide

HRID 2328773
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HRID 2328773 반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH:31]([CH3:32])[CH3:33])[C:6](=[O:30])[N:7]([CH2:16][C:17](=[O:18])[NH:19][CH:20]([CH:21]=[O:22])[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[CH:9]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[K:45][C:46]#[N:47].[Na+:34].[OH2:48].[OH:35][S:36](=[O:37])[O-:38]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([CH:31]([CH3:32])[CH3:33])[C:6](=[O:30])[N:7]([CH2:16][C:17](=[O:18])[NH:19][CH:20]([CH:21]([OH:22])[C:46]#[N:47])[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:8]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)=[CH:9]1
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 8857Ethyl AcetateHCID 104748BisulfiteHCID 222847132-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-(1-oxo-3-phenylpropan-2-yl)acetamideHCID 178511842HCID 178511842, 화합물

생성물 1

HCID 22284116
2-(1-acetyl-3-oxo-5-phenyl-2-propan-2-yl-2H-pyrazin-4-yl)-N-(1-cyano-1-hydroxy-3-phenylpropan-2-yl)acetamide

출처 및 근거

ORD 기록
ord-934e8449704640b8a5f65ec189f6e8f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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