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Water → 4-[3-(3-Benzyl-3,8-diazabicyclo[3.2.1]oct-8-yl)-2-hydroxypropoxy]benzonitrile

HRID 107897
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HRID 107897 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH2:11][CH2:12][CH:13]([CH2:14]1)[NH:15]2.[CH3:29][CH:30]([OH:31])[CH3:32].[O:16]1[CH:17]([CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]2)[CH2:18]1.[OH2:33]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH2:11][CH2:12][CH:13]([CH2:14]1)[N:15]2[CH2:18][CH:17]([OH:16])[CH2:19][O:20][c:21]1[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1
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5

반응물 4

HCID 962WaterHCID 3776IsopropanolHCID 27643014-(2-Oxiranylmethoxy)benzenecarbonitrileHCID 124305943-Benzyl-3,8-diazabicyclo[3.2.1]octane

생성물 1

HCID 222354394-[3-(3-Benzyl-3,8-diazabicyclo[3.2.1]oct-8-yl)-2-hydroxypropoxy]benzonitrile

출처 및 근거

ORD 기록
ord-123419b0b5fd4013a5514e4ff7416b7c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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