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2-Methylpentane → tert-butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate

HRID 294040
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인쇄 미리보기

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HRID 294040 반응식
[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:61][CH2:62][CH2:63][CH:64]([CH3:65])[CH3:66].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[N+:15](=[O:16])([O-:17])[c:18]1[cH:19][n:20][nH:21][cH:22]1.[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[OH:23][CH:24]1[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[N+:15](=[O:16])([O-:17])[c:18]1[cH:19][n:20][n:21]([CH:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 78922-MethylpentaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 163764-nitro-1H-pyrazoleHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 643502Tert-butyl 4-hydroxypiperidine-1-carboxylate

생성물

1
HCID 56777238tert-butyl 4-(4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-f0fd1c2ab4374705911d0eee859b7477
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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