Acetonitrile → 5-Ethynyl-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile

반응식

[CH3:22][C:23]#[N:24].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11].[NH2:14][C:15]1([CH2:20][OH:21])[CH2:16][CH2:17][CH2:18][CH2:19]1>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([C:12]#[N:13])[CH2:7][CH2:8][CH:9]1[C:10]#[CH:11])[NH:14][C:15]1([CH2:20][OH:21])[CH2:16][CH2:17][CH2:18][CH2:19]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 663071-Aminocyclopentanemethanol

HCID 714395991-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

생성물 1

HCID 728153745-Ethynyl-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile

출처 및 근거

ORD 기록: ord-3e46a86795c14d90a4f2c4f517be646d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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