1-Cyclohexylethylamine → 4-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-(1-cyclohexylethyl)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.[CH:24]1([CH:30]([CH3:31])[NH2:32])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1>>[C:1](=[O:2])([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:32][CH:30]([CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1)[CH3:31]

참가 물질

반응물 2

HCID 1107331-Cyclohexylethylamine

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

생성물 1

HCID 231506024-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-N-(1-cyclohexylethyl)bicyclo[2.2.2]octane-1-carboxamide

출처 및 근거

ORD 기록: ord-eb1365c3f50f4c74aee5559ef669a2e0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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