4-Ethylaniline → 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-(4-ethylphenyl)bicyclo[2.2.2]octane-1-carboxamide

반응식

[C:1](=[O:2])([OH:3])[C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[CH2:24]([CH3:25])[c:26]1[cH:27][cH:28][c:29]([NH2:30])[cH:31][cH:32]1>>[C:1](=[O:3])([C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)[NH:30][c:29]1[cH:28][cH:27][c:26]([CH2:24][CH3:25])[cH:32][cH:31]1

참가 물질

반응물 2

HCID 115044-Ethylaniline

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

생성물 1

HCID 231507294-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-(4-ethylphenyl)bicyclo[2.2.2]octane-1-carboxamide

출처 및 근거

ORD 기록: ord-31a3d10c4a0a42d3a562dd172352a930
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…