1-Methoxyethanol → 3-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

HRID 144387

반응식

HRID 144387 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH:10]=[C:11]([c:16]3[cH:17][cH:18][c:19]([N:22]4[CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[CH3:31])[CH2:26][CH2:27]4)[cH:20][cH:21]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2.[CH3:34][O:35][CH:36]([OH:37])[CH3:38].[H:32][H:33]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][CH:11]([c:16]3[cH:17][cH:18][c:19]([N:22]4[CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[CH3:31])[CH2:26][CH2:27]4)[cH:20][cH:21]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2

참가 물질

4

반응물 3

HCID 30156371-MethoxyethanolHCID 674135093-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl esterHCID 178418361HCID 178418361, 화합물

생성물 1

HCID 674120823-[4-(4-Methanesulfonylpiperazin-1-yl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-6bd8c90581b64fb78a20e1c53cff1957
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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