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Sodium Ion → tert-butyl 5-(cyclopentylthio)-1-(4-(methoxycarbonyl)phenyl)-1H-pyrazole-4-carboxylate

HRID 196483
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반응식

HRID 196483 반응식
[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:11]1([SH:16])[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:17][c:18]1[c:19]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:20][n:21][n:22]1-[c:23]1[cH:24][cH:25][c:26]([C:29](=[O:30])[O:31][CH3:32])[cH:27][cH:28]1.[Na+:10].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH:11]1([S:16][c:18]2[c:19]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:20][n:21][n:22]2-[c:23]2[cH:24][cH:25][c:26]([C:29](=[O:30])[O:31][CH3:32])[cH:27][cH:28]2)[CH2:12][CH2:13][CH2:14][CH2:15]1
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반응물 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 15510CyclopentanethiolHCID 3280088Npc316347HCID 57437894Tert-butyl 5-chloro-1-(4-methoxycarbonylphenyl)pyrazole-4-carboxylate

생성물 1

HCID 59516116
tert-butyl 5-(cyclopentylthio)-1-(4-(methoxycarbonyl)phenyl)-1H-pyrazole-4-carboxylate

출처 및 근거

ORD 기록
ord-205ed668c10e4f919ca3eaea831500c2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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