Acetic Acid → 4-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 176Acetic Acid

HCID 23149683Oxan-2-yl 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate

생성물 1

HCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

출처 및 근거

ORD 기록: ord-a59d354de35344f99c60a02e4245bcf8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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