Ethanol → tert-Butyl 7-oxo-1-(2,2,2-trifluoroethyl)-1,4-diazepan-6-ylcarbamate

HRID 137975

반응식

HRID 137975 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:31])[N:11]([CH2:26][C:27]([F:28])([F:29])[F:30])[CH2:12][CH2:13][N:14]([C:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:25])[CH2:15]1.[CH3:32][CH2:33][OH:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[C:10](=[O:31])[N:11]([CH2:26][C:27]([F:28])([F:29])[F:30])[CH2:12][CH2:13][NH:14][CH2:15]1

참가 물질

3

반응물 2

HCID 702EthanolHCID 22293256Benzyl 6-[(tert-butoxycarbonyl)amino]-5-oxo-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxylate

생성물 1

HCID 66939478tert-Butyl 7-oxo-1-(2,2,2-trifluoroethyl)-1,4-diazepan-6-ylcarbamate

출처 및 근거

ORD 기록
ord-b941ff6c8ca7414fa0897fea2710e99e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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