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Sodium Ion → Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate

HRID 213763
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HRID 213763 반응식
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][CH:11]1[C:12](=[O:28])[NH:13][CH2:14][CH2:15][N:16]([C:18](=[O:19])[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:17]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl:29][C:30]([Cl:31])([Cl:32])[S:33]([O:34][CH2:35][C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41].[Cl:42][C:43]([Cl:44])([Cl:45])[S:46]([O-:47])(=[O:48])=[O:49].[H-:1].[Na+:2]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[NH:10][CH:11]1[C:12](=[O:28])[N:13]([CH2:35][C:36]([F:37])([F:38])[F:39])[CH2:14][CH2:15][N:16]([C:18](=[O:19])[O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:17]1
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참가 물질

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반응물 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 900272,2,2-Trifluoroethyl trichloromethanesulphonateHCID 166653HydrideHCID 22293222TrichloromethanesulfonateHCID 22293224Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-1,4-diazepane-1-carboxylate

생성물 1

HCID 22293256
Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate

출처 및 근거

ORD 기록
ord-ccf7183652a3459fa87f05f80e232fef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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