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Water → Tert-butyl 4-(3-fluoro-4-nitrophenyl)piperazine-1-carboxylate

HRID 1566169
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HRID 1566169 반응식
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[F:1][c:2]1[c:3]([N+:9](=[O:10])[O-:11])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:32]>>[F:1][c:2]1[c:3]([N+:9](=[O:10])[O-:11])[cH:4][cH:5][c:6]([N:22]2[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]2)[cH:7]1
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HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 679672,4-DifluoronitrobenzeneHCID 143452tert-Butyl piperazine-1-carboxylate

생성물 1

HCID 66738172Tert-butyl 4-(3-fluoro-4-nitrophenyl)piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-28eb82ef6c3b439aa185787145c2abb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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